SMIRKS
[H]OC(=O)C([H])(N([H])[C:7](=[O:8])[C:9]1([H:62])[C:10]([H:63])([H:64])[C:11]([H:65])([H:66])[C:12]([H:67])([H:68])[N:13]1[C:14](=[O:15])[C:16]([N:17]([C:18](=[O:19])[C:20]1([H:69])[C:21]([H:70])([H:71])[C:22]([H:72])([H:73])[C:23]([H:74])([H:75])[N:24]1[C:25](=[O:26])[C:27]([C:28]([C:29]1:[C:30]([H:76]):[C:31]([H:77]):[C:32]([H:78]):[C:33]([H:79]):[C:34]:1[H:80])([H:81])[H:82])([N:35]([C:36](=[O:37])[C:38]1([H:83])[C:39]([H:84])([H:85])[C:40]([H:86])([H:87])[C:41]([H:88])([H:89])[N:42]1[C:43](=[O:44])[C:45]([N:46]([H:90])[H:91])([C:47]([C:48]1:[C:49]([H:92]):[C:50]([H:93]):[C:51]([O:52][H:94]):[C:53]([H:95]):[C:54]:1[H:96])([H:97])[H:98])[H:99])[H:100])[H:101])[H:102])([H:103])[H:104])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H].[H][O:58][H:114]>>[C:7](=[O:8])([C:9]1([H:62])[C:10]([H:63])([H:64])[C:11]([H:65])([H:66])[C:12]([H:67])([H:68])[N:13]1[C:14](=[O:15])[C:16]([N:17]([C:18](=[O:19])[C:20]1([H:69])[C:21]([H:70])([H:71])[C:22]([H:72])([H:73])[C:23]([H:74])([H:75])[N:24]1[C:25](=[O:26])[C:27]([C:28]([C:29]1:[C:30]([H:76]):[C:31]([H:77]):[C:32]([H:78]):[C:33]([H:79]):[C:34]:1[H:80])([H:81])[H:82])([N:35]([C:36](=[O:37])[C:38]1([H:83])[C:39]([H:84])([H:85])[C:40]([H:86])([H:87])[C:41]([H:88])([H:89])[N:42]1[C:43](=[O:44])[C:45]([N:46]([H:90])[H:91])([C:47]([C:48]1:[C:49]([H:92]):[C:50]([H:93]):[C:51]([O:52][H:94]):[C:53]([H:95]):[C:54]:1[H:96])([H:97])[H:98])[H:99])[H:100])[H:101])[H:102])([H:103])[H:104])[O:58][H:114]
Derived Operators
EVODEX.1-F265 - Elemental Balance
| O | -2 |
| C | -6 |
| N | -1 |
| H | -13 |
EVODEX.1-M88 - Mass Difference
-131.09469
EVODEX.1-E1003 - Reaction Operator E
[#6](-[#6](-[#6@@](-[#6](-[H])(-[H])-[H])(-[#6@](-[#7](-[#6:7](-[#6:8])=[#8:9])-[H])(-[#6](=[#8])-[#8]-[H])-[H])-[H])(-[H])-[H])(-[H])(-[H])-[H].[#8:13](-[H:29])-[H]>>[#6:7](-[#6:8])(=[#8:9])-[#8:13]-[H:29]
EVODEX.1-C594 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:7])-[#6@](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[H].[H]-[#8:13]>>[#6:7]-[#8:13]
EVODEX.1-N751 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:7](-[#6:8])=[#8:9])-[#6@](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[H].[H]-[#8:13]-[H:29]>>[#6:7](-[#6:8])(=[#8:9])-[#8:13]-[H:29]
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-R5717
[C:1]([C:2]([C:3]([C:4]([H:59])([H:60])[H:61])([C:5]([N:6]([C:7](=[O:8])[C:9]1([H:62])[C:10]([H:63])([H:64])[C:11]([H:65])([H:66])[C:12]([H:67])([H:68])[N:13]1[C:14](=[O:15])[C:16]([N:17]([C:18](=[O:19])[C:20]1([H:69])[C:21]([H:70])([H:71])[C:22]([H:72])([H:73])[C:23]([H:74])([H:75])[N:24]1[C:25](=[O:26])[C:27]([C:28]([C:29]1:[C:30]([H:76]):[C:31]([H:77]):[C:32]([H:78]):[C:33]([H:79]):[C:34]:1[H:80])([H:81])[H:82])([N:35]([C:36](=[O:37])[C:38]1([H:83])[C:39]([H:84])([H:85])[C:40]([H:86])([H:87])[C:41]([H:88])([H:89])[N:42]1[C:43](=[O:44])[C:45]([N:46]([H:90])[H:91])([C:47]([C:48]1:[C:49]([H:92]):[C:50]([H:93]):[C:51]([O:52][H:94]):[C:53]([H:95]):[C:54]:1[H:96])([H:97])[H:98])[H:99])[H:100])[H:101])[H:102])([H:103])[H:104])[H:105])([C:55](=[O:56])[O:57][H:106])[H:107])[H:108])([H:109])[H:110])([H:111])([H:112])[H:113].[H][O:58][H:114]>>[C:7](=[O:8])([C:9]1([H:62])[C:10]([H:63])([H:64])[C:11]([H:65])([H:66])[C:12]([H:67])([H:68])[N:13]1[C:14](=[O:15])[C:16]([N:17]([C:18](=[O:19])[C:20]1([H:69])[C:21]([H:70])([H:71])[C:22]([H:72])([H:73])[C:23]([H:74])([H:75])[N:24]1[C:25](=[O:26])[C:27]([C:28]([C:29]1:[C:30]([H:76]):[C:31]([H:77]):[C:32]([H:78]):[C:33]([H:79]):[C:34]:1[H:80])([H:81])[H:82])([N:35]([C:36](=[O:37])[C:38]1([H:83])[C:39]([H:84])([H:85])[C:40]([H:86])([H:87])[C:41]([H:88])([H:89])[N:42]1[C:43](=[O:44])[C:45]([N:46]([H:90])[H:91])([C:47]([C:48]1:[C:49]([H:92]):[C:50]([H:93]):[C:51]([O:52][H:94]):[C:53]([H:95]):[C:54]:1[H:96])([H:97])[H:98])[H:99])[H:100])[H:101])[H:102])([H:103])[H:104])[O:58][H:114].[H][N:6]([C:5]([C:3]([C:2]([C:1]([H:111])([H:112])[H:113])([H:109])[H:110])([C:4]([H:59])([H:60])[H:61])[H:108])([C:55](=[O:56])[O:57][H:106])[H:107])[H:105]