SMIRKS
[C:3]([C@:4]([N:5]([C:6](=[O:7])[C@:8]([C:9]([C:10]([C:11](=[O:12])[O:13][H:39])([H:40])[H:41])([H:42])[H:43])([N:14]([C:15](=[O:16])[O:17][C:18]([C:19]1:[C:20]([H:44]):[C:21]([H:45]):[C:22]([H:46]):[C:23]([H:47]):[C:24]:1[H:48])([H:49])[H:50])[H:51])[H:52])[H:53])([C:25](=[O:26])[N:27]1[C:28]([H:54])([H:55])[C:29]([H:56])([H:57])[C:30]([H:58])([H:59])[C@:31]1([C:32](=[O:33])[O:34][H:60])[H:61])[H:62])([H:63])([H:64])[H:65]>>[H]C([H])([H])O[C:6](=[O:7])[C@:8]([C:9]([C:10]([C:11](=[O:12])[O:13][H:39])([H:40])[H:41])([H:42])[H:43])([N:14]([C:15](=[O:16])[O:17][C:18]([C:19]1:[C:20]([H:44]):[C:21]([H:45]):[C:22]([H:46]):[C:23]([H:47]):[C:24]:1[H:48])([H:49])[H:50])[H:51])[H:52].[H][N:5]([C@@:4]([C:3]([H:63])([H:64])[H:65])([C:25](=[O:26])[N:27]1[C:28]([H:54])([H:55])[C:29]([H:56])([H:57])[C:30]([H:58])([H:59])[C@:31]1([C:32](=[O:33])[O:34][H:60])[H:61])[H:62])[H:53]
Derived Operators
EVODEX.1-F348 - Elemental Balance
| O | 1 |
| C | 1 |
| H | 4 |
EVODEX.1-M353 - Mass Difference
32.02622
EVODEX.1-E1138 - Reaction Operator E
[#6:2]-[#7:3](-[#6:4](=[#8:5])-[#6:6])-[H:20]>>[#6:4](=[#8:5])(-[#6:6])-[#8]-[#6](-[H])(-[H])-[H].[#6:2]-[#7:3](-[H:20])-[H]
EVODEX.1-C1424 - Reaction Operator C
[#7:5](-[#6@:4])-[#6:6]>>[H]-[#6](-[H])(-[H])-[#8]-[#6:6].[H]-[#7:5]-[#6@@:4]
EVODEX.1-N1812 - Reaction Operator N
[#6:3]-[#6@:4](-[#7:5](-[#6:6](=[#8:7])-[#6@:8])-[H:53])(-[#6:25])-[H:62]>>[H]-[#6](-[H])(-[H])-[#8]-[#6:6](=[#8:7])-[#6@:8].[H]-[#7:5](-[#6@@:4](-[#6:3])(-[#6:25])-[H:62])-[H:53]
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-R5793
[H][O:2][C:1]([H:36])([H:37])[H:38].[C:3]([C@:4]([N:5]([C:6](=[O:7])[C@:8]([C:9]([C:10]([C:11](=[O:12])[O:13][H:39])([H:40])[H:41])([H:42])[H:43])([N:14]([C:15](=[O:16])[O:17][C:18]([C:19]1:[C:20]([H:44]):[C:21]([H:45]):[C:22]([H:46]):[C:23]([H:47]):[C:24]:1[H:48])([H:49])[H:50])[H:51])[H:52])[H:53])([C:25](=[O:26])[N:27]1[C:28]([H:54])([H:55])[C:29]([H:56])([H:57])[C:30]([H:58])([H:59])[C@:31]1([C:32](=[O:33])[O:34][H:60])[H:61])[H:62])([H:63])([H:64])[H:65]>>[C:1]([O:2][C:6](=[O:7])[C@:8]([C:9]([C:10]([C:11](=[O:12])[O:13][H:39])([H:40])[H:41])([H:42])[H:43])([N:14]([C:15](=[O:16])[O:17][C:18]([C:19]1:[C:20]([H:44]):[C:21]([H:45]):[C:22]([H:46]):[C:23]([H:47]):[C:24]:1[H:48])([H:49])[H:50])[H:51])[H:52])([H:36])([H:37])[H:38].[H][N:5]([C@@:4]([C:3]([H:63])([H:64])[H:65])([C:25](=[O:26])[N:27]1[C:28]([H:54])([H:55])[C:29]([H:56])([H:57])[C:30]([H:58])([H:59])[C@:31]1([C:32](=[O:33])[O:34][H:60])[H:61])[H:62])[H:53]