SMIRKS
[H]OC(=O)[C@@]([H])(N([H])C(=O)C([H])([H])N([H])C(=O)[C@@]([H])(N([H])[C:19](=[O:20])[C@:21]([C:22]([C:23]1:[C:24]([H:76]):[N:25]([H:77]):[C:26]2:[C:27]([H:78]):[C:28]([H:79]):[C:29]([H:80]):[C:30]([H:81]):[C:31]:1:2)([H:82])[H:83])([N:32]([C:33](=[O:34])[C@@:35]([N:36]([C:37](=[O:38])[C@:39]([C:40]([C:41]([C:42]([H:84])([H:85])[H:86])([C:43]([H:87])([H:88])[H:89])[H:90])([H:91])[H:92])([N:44]([C:45](=[O:46])[C@:47]([C:48]([C:49]([C:50]([H:93])([H:94])[H:95])([C:51]([H:96])([H:97])[H:98])[H:99])([H:100])[H:101])([N:52]([C:53](=[O:54])[C:55]([N:56]([H:102])[H:103])([H:104])[H:105])[H:106])[H:107])[H:108])[H:109])[H:110])([C:57]([C:58]([H:111])([H:112])[H:113])([C:59]([H:114])([H:115])[H:116])[H:117])[H:118])[H:119])[H:120])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H].[H][O:63][H:135]>>[C:19](=[O:20])([C@:21]([C:22]([C:23]1:[C:24]([H:76]):[N:25]([H:77]):[C:26]2:[C:27]([H:78]):[C:28]([H:79]):[C:29]([H:80]):[C:30]([H:81]):[C:31]:1:2)([H:82])[H:83])([N:32]([C:33](=[O:34])[C@@:35]([N:36]([C:37](=[O:38])[C@:39]([C:40]([C:41]([C:42]([H:84])([H:85])[H:86])([C:43]([H:87])([H:88])[H:89])[H:90])([H:91])[H:92])([N:44]([C:45](=[O:46])[C@:47]([C:48]([C:49]([C:50]([H:93])([H:94])[H:95])([C:51]([H:96])([H:97])[H:98])[H:99])([H:100])[H:101])([N:52]([C:53](=[O:54])[C:55]([N:56]([H:102])[H:103])([H:104])[H:105])[H:106])[H:107])[H:108])[H:109])[H:110])([C:57]([C:58]([H:111])([H:112])[H:113])([C:59]([H:114])([H:115])[H:116])[H:117])[H:118])[H:119])[H:120])[O:63][H:135]
Derived Operators
EVODEX.1-F523 - Elemental Balance
| O | -4 |
| C | -14 |
| N | -3 |
| H | -27 |
EVODEX.1-M169 - Mass Difference
-301.20031
EVODEX.1-E1341 - Reaction Operator E
[#6](-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[#6@](-[#7](-[#6](=[#8])-[#6](-[#7](-[#6](=[#8])-[#6@](-[#6](-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[H])(-[H])-[H])-[H])(-[H])-[H])(-[#7](-[#6:19](=[#8:20])-[#6@:21])-[H])-[H])-[H])(-[H])-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])(-[H])-[H])-[H])(-[H])(-[H])-[H].[#8:62](-[H:130])-[H]>>[#6:19](=[#8:20])(-[#6@:21])-[#8:62]-[H:130]
EVODEX.1-C647 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6](-[H])(-[H])-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:19])-[#6](-[H])(-[H])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H].[H]-[#8:63]>>[#6:19]-[#8:63]
EVODEX.1-N802 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6](-[H])(-[H])-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:19](=[#8:20])-[#6@:21])-[#6](-[H])(-[H])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H].[H]-[#8:63]-[H:135]>>[#6:19](=[#8:20])(-[#6@:21])-[#8:63]-[H:135]
EVODEX.1-Em2 - Reaction Operator Em
[H]-[#7](-[#6])-[#6:4](-[#6:3])=[#8:5].[H]-[#8:13]>>[#6:3]-[#6:4](=[#8:5])-[#8:13]
EVODEX.1-Nm2 - Reaction Operator Nm
[H]-[#7](-[#6])-[#6:4](-[#6:3])=[#8:5].[H]-[#8:13]>>[#6:3]-[#6:4](=[#8:5])-[#8:13]
Source Full Reactions
EVODEX.1-R5926
[C:1]([C:2]([C:3]([H:64])([H:65])[H:66])([C:4]([C@:5]([N:6]([C:7](=[O:8])[C:9]([N:10]([C:11](=[O:12])[C@:13]([C:14]([C:15]([C:16]([H:67])([H:68])[H:69])([C:17]([H:70])([H:71])[H:72])[H:73])([H:74])[H:75])([N:18]([C:19](=[O:20])[C@:21]([C:22]([C:23]1:[C:24]([H:76]):[N:25]([H:77]):[C:26]2:[C:27]([H:78]):[C:28]([H:79]):[C:29]([H:80]):[C:30]([H:81]):[C:31]:1:2)([H:82])[H:83])([N:32]([C:33](=[O:34])[C@@:35]([N:36]([C:37](=[O:38])[C@:39]([C:40]([C:41]([C:42]([H:84])([H:85])[H:86])([C:43]([H:87])([H:88])[H:89])[H:90])([H:91])[H:92])([N:44]([C:45](=[O:46])[C@:47]([C:48]([C:49]([C:50]([H:93])([H:94])[H:95])([C:51]([H:96])([H:97])[H:98])[H:99])([H:100])[H:101])([N:52]([C:53](=[O:54])[C:55]([N:56]([H:102])[H:103])([H:104])[H:105])[H:106])[H:107])[H:108])[H:109])[H:110])([C:57]([C:58]([H:111])([H:112])[H:113])([C:59]([H:114])([H:115])[H:116])[H:117])[H:118])[H:119])[H:120])[H:121])[H:122])[H:123])([H:124])[H:125])[H:126])([C:60](=[O:61])[O:62][H:127])[H:128])([H:129])[H:130])[H:131])([H:132])([H:133])[H:134].[H][O:63][H:135]>>[C:19](=[O:20])([C@:21]([C:22]([C:23]1:[C:24]([H:76]):[N:25]([H:77]):[C:26]2:[C:27]([H:78]):[C:28]([H:79]):[C:29]([H:80]):[C:30]([H:81]):[C:31]:1:2)([H:82])[H:83])([N:32]([C:33](=[O:34])[C@@:35]([N:36]([C:37](=[O:38])[C@:39]([C:40]([C:41]([C:42]([H:84])([H:85])[H:86])([C:43]([H:87])([H:88])[H:89])[H:90])([H:91])[H:92])([N:44]([C:45](=[O:46])[C@:47]([C:48]([C:49]([C:50]([H:93])([H:94])[H:95])([C:51]([H:96])([H:97])[H:98])[H:99])([H:100])[H:101])([N:52]([C:53](=[O:54])[C:55]([N:56]([H:102])[H:103])([H:104])[H:105])[H:106])[H:107])[H:108])[H:109])[H:110])([C:57]([C:58]([H:111])([H:112])[H:113])([C:59]([H:114])([H:115])[H:116])[H:117])[H:118])[H:119])[H:120])[O:63][H:135].[H][N:18]([C@:13]([C:11]([N:10]([C:9]([C:7]([N:6]([C@@:5]([C:4]([C:2]([C:1]([H:132])([H:133])[H:134])([C:3]([H:64])([H:65])[H:66])[H:131])([H:129])[H:130])([C:60](=[O:61])[O:62][H:127])[H:128])[H:126])=[O:8])([H:124])[H:125])[H:123])=[O:12])([C:14]([C:15]([C:16]([H:67])([H:68])[H:69])([C:17]([H:70])([H:71])[H:72])[H:73])([H:74])[H:75])[H:122])[H:121]