SMIRKS
[H]OC(=O)C([H])([H])N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])[C:7](=[O:8])[C@:9]([C:10]([C:11]([C:12]([C:13]([N:14]([H:67])[H:68])([H:69])[H:70])([H:71])[H:72])([H:73])[H:74])([H:75])[H:76])([N:15]([C:16](=[O:17])[C@:18]([C:19]([C:20](=[O:21])[O:22][H:77])([H:78])[H:79])([N:23]([C:24](=[O:25])[C@:26]([C:27]([C:28](=[O:29])[O:30][H:80])([H:81])[H:82])([N:31]([C:32](=[O:33])[C@:34]([C:35]([H:83])([H:84])[H:85])([N:36]([C:37](=[O:38])[C@:39]([C:40]([H:86])([H:87])[H:88])([N:41]([C:42](=[O:43])[C@@:44]([N:45]([H:89])[H:90])([C:46]([C:47]([H:91])([H:92])[H:93])([C:48]([H:94])([H:95])[H:96])[H:97])[H:98])[H:99])[H:100])[H:101])[H:102])[H:103])[H:104])[H:105])[H:106])[H:107])[H:108])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H].[H][O:63][H:130]>>[C:7](=[O:8])([C@:9]([C:10]([C:11]([C:12]([C:13]([N:14]([H:67])[H:68])([H:69])[H:70])([H:71])[H:72])([H:73])[H:74])([H:75])[H:76])([N:15]([C:16](=[O:17])[C@:18]([C:19]([C:20](=[O:21])[O:22][H:77])([H:78])[H:79])([N:23]([C:24](=[O:25])[C@:26]([C:27]([C:28](=[O:29])[O:30][H:80])([H:81])[H:82])([N:31]([C:32](=[O:33])[C@:34]([C:35]([H:83])([H:84])[H:85])([N:36]([C:37](=[O:38])[C@:39]([C:40]([H:86])([H:87])[H:88])([N:41]([C:42](=[O:43])[C@@:44]([N:45]([H:89])[H:90])([C:46]([C:47]([H:91])([H:92])[H:93])([C:48]([H:94])([H:95])[H:96])[H:97])[H:98])[H:99])[H:100])[H:101])[H:102])[H:103])[H:104])[H:105])[H:106])[H:107])[H:108])[O:63][H:130]
Derived Operators
EVODEX.1-F513 - Elemental Balance
| O | -4 |
| C | -13 |
| N | -3 |
| H | -25 |
EVODEX.1-M486 - Mass Difference
-287.18465
EVODEX.1-E1331 - Reaction Operator E
[#6](-[#6](-[#6@](-[#6](-[H])(-[H])-[H])(-[#6@](-[#7](-[#6:7](=[#8:8])-[#6@:9])-[H])(-[#6](=[#8])-[#7](-[#6@](-[#6](=[#8])-[#7](-[#6](-[#6](=[#8])-[#8]-[H])(-[H])-[H])-[H])(-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[H])(-[H])-[H])-[H])-[H])-[H])-[H])-[H])(-[H])-[H])(-[H])(-[H])-[H].[#8:63](-[H:130])-[H]>>[#6:7](=[#8:8])(-[#6@:9])-[#8:63]-[H:130]
EVODEX.1-C650 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:7])-[#6@@](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H].[H]-[#8:63]>>[#6:7]-[#8:63]
EVODEX.1-N805 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:7](=[#8:8])-[#6@:9])-[#6@@](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H].[H]-[#8:63]-[H:130]>>[#6:7](=[#8:8])(-[#6@:9])-[#8:63]-[H:130]
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-R5939
[C:1]([C:2]([C@:3]([C:4]([H:64])([H:65])[H:66])([C@:5]([N:6]([C:7](=[O:8])[C@:9]([C:10]([C:11]([C:12]([C:13]([N:14]([H:67])[H:68])([H:69])[H:70])([H:71])[H:72])([H:73])[H:74])([H:75])[H:76])([N:15]([C:16](=[O:17])[C@:18]([C:19]([C:20](=[O:21])[O:22][H:77])([H:78])[H:79])([N:23]([C:24](=[O:25])[C@:26]([C:27]([C:28](=[O:29])[O:30][H:80])([H:81])[H:82])([N:31]([C:32](=[O:33])[C@:34]([C:35]([H:83])([H:84])[H:85])([N:36]([C:37](=[O:38])[C@:39]([C:40]([H:86])([H:87])[H:88])([N:41]([C:42](=[O:43])[C@@:44]([N:45]([H:89])[H:90])([C:46]([C:47]([H:91])([H:92])[H:93])([C:48]([H:94])([H:95])[H:96])[H:97])[H:98])[H:99])[H:100])[H:101])[H:102])[H:103])[H:104])[H:105])[H:106])[H:107])[H:108])[H:109])([C:49](=[O:50])[N:51]([C@:52]([C:53](=[O:54])[N:55]([C:56]([C:57](=[O:58])[O:59][H:110])([H:111])[H:112])[H:113])([C:60]([C:61]([H:114])([H:115])[H:116])([C:62]([H:117])([H:118])[H:119])[H:120])[H:121])[H:122])[H:123])[H:124])([H:125])[H:126])([H:127])([H:128])[H:129].[H][O:63][H:130]>>[C:7](=[O:8])([C@:9]([C:10]([C:11]([C:12]([C:13]([N:14]([H:67])[H:68])([H:69])[H:70])([H:71])[H:72])([H:73])[H:74])([H:75])[H:76])([N:15]([C:16](=[O:17])[C@:18]([C:19]([C:20](=[O:21])[O:22][H:77])([H:78])[H:79])([N:23]([C:24](=[O:25])[C@:26]([C:27]([C:28](=[O:29])[O:30][H:80])([H:81])[H:82])([N:31]([C:32](=[O:33])[C@:34]([C:35]([H:83])([H:84])[H:85])([N:36]([C:37](=[O:38])[C@:39]([C:40]([H:86])([H:87])[H:88])([N:41]([C:42](=[O:43])[C@@:44]([N:45]([H:89])[H:90])([C:46]([C:47]([H:91])([H:92])[H:93])([C:48]([H:94])([H:95])[H:96])[H:97])[H:98])[H:99])[H:100])[H:101])[H:102])[H:103])[H:104])[H:105])[H:106])[H:107])[H:108])[O:63][H:130].[H][N:6]([C@@:5]([C@:3]([C:2]([C:1]([H:127])([H:128])[H:129])([H:125])[H:126])([C:4]([H:64])([H:65])[H:66])[H:124])([C:49](=[O:50])[N:51]([C@:52]([C:53](=[O:54])[N:55]([C:56]([C:57](=[O:58])[O:59][H:110])([H:111])[H:112])[H:113])([C:60]([C:61]([H:114])([H:115])[H:116])([C:62]([H:117])([H:118])[H:119])[H:120])[H:121])[H:122])[H:123])[H:109]