SMIRKS
[C:4]([C:5]([O:6][C:7](=[O:8])[C:9]([C:10]([C@:11]([N:12]([C:13](=[O:14])[C@:15]([C:16]([C:17]([C:18]([N:19]([C:20](=[N:21][H:43])[N:22]([H:44])[H:45])[H:46])([H:47])[H:48])([H:49])[H:50])([H:51])[H:52])([N:23]([C:24](=[O:25])[C:26]1:[C:27]([H:53]):[C:28]([H:54]):[C:29]([H:55]):[C:30]([H:56]):[C:31]:1[H:57])[H:58])[H:59])[H:60])([C:32](=[O:33])[O:34][C:35]([C:36]([H:61])([H:62])[H:63])([H:64])[H:65])[H:66])([H:67])[H:68])([H:69])[H:70])([H:71])[H:72])([H:73])([H:74])[H:75]>>[H]C([H])([H])C([H])([H])O[C:13](=[O:14])[C@:15]([C:16]([C:17]([C:18]([N:19]([C:20](=[N:21][H:43])[N:22]([H:44])[H:45])[H:46])([H:47])[H:48])([H:49])[H:50])([H:51])[H:52])([N:23]([C:24](=[O:25])[C:26]1:[C:27]([H:53]):[C:28]([H:54]):[C:29]([H:55]):[C:30]([H:56]):[C:31]:1[H:57])[H:58])[H:59].[H][N:12]([C@@:11]([C:10]([C:9]([C:7]([O:6][C:5]([C:4]([H:73])([H:74])[H:75])([H:71])[H:72])=[O:8])([H:69])[H:70])([H:67])[H:68])([C:32](=[O:33])[O:34][C:35]([C:36]([H:61])([H:62])[H:63])([H:64])[H:65])[H:66])[H:60]
Derived Operators
EVODEX.1-F67 - Elemental Balance
| O | 1 |
| C | 2 |
| H | 6 |
EVODEX.1-M215 - Mass Difference
46.04188
EVODEX.1-E613 - Reaction Operator E
[#6:15]-[#7:16](-[#6:17](=[#8:18])-[#6@:19])-[H:59]>>[#6](-[#6](-[#8]-[#6:17](=[#8:18])-[#6@:19])(-[H])-[H])(-[H])(-[H])-[H].[#6:15]-[#7:16](-[H:59])-[H]
EVODEX.1-C1430 - Reaction Operator C
[#7:12](-[#6@:11])-[#6:13]>>[H]-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#8]-[#6:13].[H]-[#7:12]-[#6@@:11]
EVODEX.1-N1823 - Reaction Operator N
[#6:10]-[#6@:11](-[#7:12](-[#6:13](=[#8:14])-[#6@:15])-[H:60])(-[#6:32])-[H:66]>>[H]-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#8]-[#6:13](=[#8:14])-[#6@:15].[H]-[#7:12](-[#6@@:11](-[#6:10])(-[#6:32])-[H:66])-[H:60]
EVODEX.1-Em70 - Reaction Operator Em
[#8:3]=[#6:4](-[#6:5])-[#7:12]-[#6:13]>>[#6]-[#8]-[#6:4](=[#8:3])-[#6:5].[H]-[#7:12]-[#6:13]
EVODEX.1-Nm84 - Reaction Operator Nm
[#8:3]=[#6:4](-[#6:5])-[#7:12]-[#6:13]>>[#6]-[#8]-[#6:4](=[#8:3])-[#6:5].[H]-[#7:12]-[#6:13]
Source Full Reactions
EVODEX.1-R5968
[H][O:3][C:2]([C:1]([H:40])([H:41])[H:42])([H:38])[H:39].[C:4]([C:5]([O:6][C:7](=[O:8])[C:9]([C:10]([C@:11]([N:12]([C:13](=[O:14])[C@:15]([C:16]([C:17]([C:18]([N:19]([C:20](=[N:21][H:43])[N:22]([H:44])[H:45])[H:46])([H:47])[H:48])([H:49])[H:50])([H:51])[H:52])([N:23]([C:24](=[O:25])[C:26]1:[C:27]([H:53]):[C:28]([H:54]):[C:29]([H:55]):[C:30]([H:56]):[C:31]:1[H:57])[H:58])[H:59])[H:60])([C:32](=[O:33])[O:34][C:35]([C:36]([H:61])([H:62])[H:63])([H:64])[H:65])[H:66])([H:67])[H:68])([H:69])[H:70])([H:71])[H:72])([H:73])([H:74])[H:75]>>[C:1]([C:2]([O:3][C:13](=[O:14])[C@:15]([C:16]([C:17]([C:18]([N:19]([C:20](=[N:21][H:43])[N:22]([H:44])[H:45])[H:46])([H:47])[H:48])([H:49])[H:50])([H:51])[H:52])([N:23]([C:24](=[O:25])[C:26]1:[C:27]([H:53]):[C:28]([H:54]):[C:29]([H:55]):[C:30]([H:56]):[C:31]:1[H:57])[H:58])[H:59])([H:38])[H:39])([H:40])([H:41])[H:42].[H][N:12]([C@@:11]([C:10]([C:9]([C:7]([O:6][C:5]([C:4]([H:73])([H:74])[H:75])([H:71])[H:72])=[O:8])([H:69])[H:70])([H:67])[H:68])([C:32](=[O:33])[O:34][C:35]([C:36]([H:61])([H:62])[H:63])([H:64])[H:65])[H:66])[H:60]