SMIRKS
[H]OC(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]1([H])N([C:14](=[O:15])[C@:16]([C:17]([C:18]2:[C:19]([H:91]):[C:20]([H:92]):[C:21]([O:22][H:93]):[C:23]([H:94]):[C:24]:2[H:95])([H:96])[H:97])([N:25]([C:26](=[O:27])[C@:28]([C:29]([C:30]([N:31]([H:98])[H:99])=[O:32])([H:100])[H:101])([N:33]([C:34](=[O:35])[C@:36]([C:37]([C:38]([C:39]([N:40]([H:102])[H:103])=[O:41])([H:104])[H:105])([H:106])[H:107])([N:42]([C:43](=[O:44])[C@:45]([C:46]([C:47]2:[C:48]([H:108]):[C:49]([H:109]):[C:50]([H:110]):[C:51]([H:111]):[C:52]:2[H:112])([H:113])[H:114])([N:53]([C:54](=[O:55])[C@@:56]([N:57]([H:115])[H:116])([C:58]([C:59]([H:117])([H:118])[H:119])([C:60]([H:120])([H:121])[H:122])[H:123])[H:124])[H:125])[H:126])[H:127])[H:128])[H:129])[H:130])[H:131])[H:132])C([H])([H])C([H])([H])C1([H])[H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C(=O)N([H])[H].[H][O:80][H:159]>>[C:14](=[O:15])([C@:16]([C:17]([C:18]1:[C:19]([H:91]):[C:20]([H:92]):[C:21]([O:22][H:93]):[C:23]([H:94]):[C:24]:1[H:95])([H:96])[H:97])([N:25]([C:26](=[O:27])[C@:28]([C:29]([C:30]([N:31]([H:98])[H:99])=[O:32])([H:100])[H:101])([N:33]([C:34](=[O:35])[C@:36]([C:37]([C:38]([C:39]([N:40]([H:102])[H:103])=[O:41])([H:104])[H:105])([H:106])[H:107])([N:42]([C:43](=[O:44])[C@:45]([C:46]([C:47]1:[C:48]([H:108]):[C:49]([H:109]):[C:50]([H:110]):[C:51]([H:111]):[C:52]:1[H:112])([H:113])[H:114])([N:53]([C:54](=[O:55])[C@@:56]([N:57]([H:115])[H:116])([C:58]([C:59]([H:117])([H:118])[H:119])([C:60]([H:120])([H:121])[H:122])[H:123])[H:124])[H:125])[H:126])[H:127])[H:128])[H:129])[H:130])[H:131])[H:132])[O:80][H:159]
Derived Operators
EVODEX.1-F531 - Elemental Balance
| O | -6 |
| C | -21 |
| N | -5 |
| H | -37 |
EVODEX.1-M503 - Mass Difference
-455.27461000000005
EVODEX.1-E1350 - Reaction Operator E
[#6](-[#6](-[#6@](-[#6](-[H])(-[H])-[H])(-[#6@](-[#7](-[#6](=[#8])-[#6@]1(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#7]-1-[#6:14](=[#8:15])-[#6@:16])-[H])(-[#6](=[#8])-[#7](-[#6@](-[#6](=[#8])-[#7](-[#6@@](-[#6](-[#6](-[#6](-[#7](-[H])-[H])=[#8])(-[H])-[H])(-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])-[H])(-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[H])(-[H])-[H])-[H])-[H])-[H])-[H])-[H])(-[H])-[H])(-[H])(-[H])-[H].[#8:74](-[H:152])-[H]>>[#6:14](=[#8:15])(-[#6@:16])-[#8:74]-[H:152]
EVODEX.1-C663 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6@@]1(-[H])-[#7](-[#6:14])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6]-1(-[H])-[H])-[#6@@](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7](-[H])-[H].[H]-[#8:74]>>[#6:14]-[#8:74]
EVODEX.1-N820 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6@@]1(-[H])-[#7](-[#6:14](=[#8:15])-[#6@:16])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6]-1(-[H])-[H])-[#6@@](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7](-[H])-[H].[H]-[#8:74]-[H:152]>>[#6:14](=[#8:15])(-[#6@:16])-[#8:74]-[H:152]
EVODEX.1-Em52 - Reaction Operator Em
[#6]-[#7](-[#6:55](-[#6:48])=[#8:56])-[#6].[H]-[#8:65]>>[#6:48]-[#6:55](=[#8:56])-[#8:65]
EVODEX.1-Nm59 - Reaction Operator Nm
[#6]-[#7](-[#6:55](-[#6:48])=[#8:56])-[#6].[H]-[#8:65]>>[#6:48]-[#6:55](=[#8:56])-[#8:65]
Source Full Reactions
EVODEX.1-R6062
[C:1]([C:2]([C@:3]([C:4]([H:81])([H:82])[H:83])([C@:5]([N:6]([C:7](=[O:8])[C@:9]1([H:84])[C:10]([H:85])([H:86])[C:11]([H:87])([H:88])[C:12]([H:89])([H:90])[N:13]1[C:14](=[O:15])[C@:16]([C:17]([C:18]1:[C:19]([H:91]):[C:20]([H:92]):[C:21]([O:22][H:93]):[C:23]([H:94]):[C:24]:1[H:95])([H:96])[H:97])([N:25]([C:26](=[O:27])[C@:28]([C:29]([C:30]([N:31]([H:98])[H:99])=[O:32])([H:100])[H:101])([N:33]([C:34](=[O:35])[C@:36]([C:37]([C:38]([C:39]([N:40]([H:102])[H:103])=[O:41])([H:104])[H:105])([H:106])[H:107])([N:42]([C:43](=[O:44])[C@:45]([C:46]([C:47]1:[C:48]([H:108]):[C:49]([H:109]):[C:50]([H:110]):[C:51]([H:111]):[C:52]:1[H:112])([H:113])[H:114])([N:53]([C:54](=[O:55])[C@@:56]([N:57]([H:115])[H:116])([C:58]([C:59]([H:117])([H:118])[H:119])([C:60]([H:120])([H:121])[H:122])[H:123])[H:124])[H:125])[H:126])[H:127])[H:128])[H:129])[H:130])[H:131])[H:132])[H:133])([C:61](=[O:62])[N:63]([C@:64]([C:65](=[O:66])[N:67]([C@@:68]([C:69]([C:70]([C:71]([N:72]([H:134])[H:135])=[O:73])([H:136])[H:137])([H:138])[H:139])([C:74](=[O:75])[O:76][H:140])[H:141])[H:142])([C:77]([C:78]([H:143])([H:144])[H:145])([C:79]([H:146])([H:147])[H:148])[H:149])[H:150])[H:151])[H:152])[H:153])([H:154])[H:155])([H:156])([H:157])[H:158].[H][O:80][H:159]>>[C:14](=[O:15])([C@:16]([C:17]([C:18]1:[C:19]([H:91]):[C:20]([H:92]):[C:21]([O:22][H:93]):[C:23]([H:94]):[C:24]:1[H:95])([H:96])[H:97])([N:25]([C:26](=[O:27])[C@:28]([C:29]([C:30]([N:31]([H:98])[H:99])=[O:32])([H:100])[H:101])([N:33]([C:34](=[O:35])[C@:36]([C:37]([C:38]([C:39]([N:40]([H:102])[H:103])=[O:41])([H:104])[H:105])([H:106])[H:107])([N:42]([C:43](=[O:44])[C@:45]([C:46]([C:47]1:[C:48]([H:108]):[C:49]([H:109]):[C:50]([H:110]):[C:51]([H:111]):[C:52]:1[H:112])([H:113])[H:114])([N:53]([C:54](=[O:55])[C@@:56]([N:57]([H:115])[H:116])([C:58]([C:59]([H:117])([H:118])[H:119])([C:60]([H:120])([H:121])[H:122])[H:123])[H:124])[H:125])[H:126])[H:127])[H:128])[H:129])[H:130])[H:131])[H:132])[O:80][H:159].[H][N:13]1[C@@:9]([C:7]([N:6]([C@@:5]([C@:3]([C:2]([C:1]([H:156])([H:157])[H:158])([H:154])[H:155])([C:4]([H:81])([H:82])[H:83])[H:153])([C:61](=[O:62])[N:63]([C@:64]([C:65](=[O:66])[N:67]([C@@:68]([C:69]([C:70]([C:71]([N:72]([H:134])[H:135])=[O:73])([H:136])[H:137])([H:138])[H:139])([C:74](=[O:75])[O:76][H:140])[H:141])[H:142])([C:77]([C:78]([H:143])([H:144])[H:145])([C:79]([H:146])([H:147])[H:148])[H:149])[H:150])[H:151])[H:152])[H:133])=[O:8])([H:84])[C:10]([H:85])([H:86])[C:11]([H:87])([H:88])[C:12]1([H:89])[H:90]