SMIRKS
[H]N([H])[C@@:11]([H])([C:10]([C:8]([C:7]1:[C:2]([N:1]([H:37])[H:38]):[C:3]([H:27]):[C:4]([H:28]):[C:5]([H:29]):[C:6]:1[H:30])=[O:9])([H:35])[H:36])[C:13](=[O:14])[O:15][H:33].[H]OC(=O)C(C([H])([H])C([H])([H])C([H])([H])C(=O)O[H])=[O:23]>>[N:1]([C:2]1:[C:3]([H:27]):[C:4]([H:28]):[C:5]([H:29]):[C:6]([H:30]):[C:7]:1[C:8](=[O:9])[C:10]([C:11]([C:13](=[O:14])[O:15][H:33])=[O:23])([H:35])[H:36])([H:37])[H:38]
Derived Operators
EVODEX.1-F291 - Elemental Balance
| C | -6 |
| N | -1 |
| O | -4 |
| H | -11 |
EVODEX.1-M317 - Mass Difference
-161.06883
EVODEX.1-E1056 - Reaction Operator E
[#6:2]-[#6@@:4](-[#7](-[H])-[H])(-[#6:6]=[#8:7])-[H].[#8]=[#6](-[#8]-[H])-[#6](-[#6](-[#6](-[#6](=[#8:16])-[#6](=[#8])-[#8]-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H]>>[#6:2]-[#6:4](-[#6:6]=[#8:7])=[#8:16]
EVODEX.1-C466 - Reaction Operator C
[H]-[#7](-[H])-[#6@:2]-[H].[H]-[#8]-[#6](=[#8])-[#6](-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#8]-[H])=[#8:15]>>[#6:2]=[#8:15]
EVODEX.1-N566 - Reaction Operator N
[H]-[#7](-[H])-[#6@:2](-[H])(-[#6:3])-[#6:5].[H]-[#8]-[#6](=[#8])-[#6](-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#8]-[H])=[#8:15]>>[#6:2](-[#6:3])(-[#6:5])=[#8:15]
EVODEX.1-Em14 - Reaction Operator Em
[#6](=[#8])-[#6](-[#6])=[#8:6].[H]-[#7](-[H])-[#6:11](-[H])(-[#6:12])-[#6:21]=[#8:22]>>[#8:6]=[#6:11](-[#6:12])-[#6:21]=[#8:22]
EVODEX.1-Nm12 - Reaction Operator Nm
[H]-[#7](-[H])-[#6:39](-[H])(-[#6:5])-[#6:37].[#6]-[#6](-[#6])=[#8:47]>>[#6:5]-[#6:39](-[#6:37])=[#8:47]
Source Full Reactions
EVODEX.1-R3825
[H][C@@:11]([C:10]([C:8]([C:7]1:[C:2]([N:1]([H:37])[H:38]):[C:3]([H:27]):[C:4]([H:28]):[C:5]([H:29]):[C:6]:1[H:30])=[O:9])([H:35])[H:36])([N:12]([H:31])[H:32])[C:13](=[O:14])[O:15][H:33].[O:16]=[C:17]([O:18][H:39])[C:19]([C:20]([C:21]([C:22](=[O:23])[C:24](=[O:25])[O:26][H:40])([H:41])[H:42])([H:43])[H:44])([H:45])[H:46]>>[H][C:22]([N:12]([H:31])[H:32])([C:21]([C:20]([C:19]([C:17](=[O:16])[O:18][H:39])([H:45])[H:46])([H:43])[H:44])([H:41])[H:42])[C:24](=[O:25])[O:26][H:40].[N:1]([C:2]1:[C:3]([H:27]):[C:4]([H:28]):[C:5]([H:29]):[C:6]([H:30]):[C:7]:1[C:8](=[O:9])[C:10]([C:11]([C:13](=[O:14])[O:15][H:33])=[O:23])([H:35])[H:36])([H:37])[H:38]