SMIRKS
[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]>>[H]OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])(C(=O)O[H])[N:12]([H:31])[H:32].O=[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])[C:13](=[O:14])[O:15][H:33]
Derived Operators
EVODEX.1-F149 - Elemental Balance
| C | 6 |
| O | 5 |
| H | 8 |
EVODEX.1-M250 - Mass Difference
160.03713999999997
EVODEX.1-E812 - Reaction Operator E
[#6:2]-[#6@@:4](-[#7:5](-[H:23])-[H:24])(-[#6:6]=[#8:7])-[H]>>[#6:2]-[#6:4](-[#6:6]=[#8:7])=[#8].[#7:5](-[#6](-[#6](-[#6](-[#6](-[#6](=[#8])-[#8]-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])(-[H:23])-[H:24]
EVODEX.1-C467 - Reaction Operator C
[H]-[#6@:4]-[#7:5]>>[#8]=[#6:4].[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[#6](=[#8])-[#8]-[H])-[#7:5]
EVODEX.1-N567 - Reaction Operator N
[H]-[#6@:4](-[#6:2])(-[#7:5](-[H:23])-[H:24])-[#6:6]>>[#8]=[#6:4](-[#6:2])-[#6:6].[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[#6](=[#8])-[#8]-[H])-[#7:5](-[H:23])-[H:24]
EVODEX.1-Em17 - Reaction Operator Em
[H]-[#6:2](-[#7:1])(-[#6:3])-[#6:14]=[#8:15]>>[#8]=[#6:2](-[#6:3])-[#6:14]=[#8:15].[#6]-[#6](-[H])(-[#6])-[#7:1]
EVODEX.1-Nm13 - Reaction Operator Nm
[H]-[#6:39](-[#7:40])(-[#6:5])-[#6:37]>>[#8]=[#6:39](-[#6:5])-[#6:37].[#6]-[#6](-[H])(-[#6])-[#7:40]
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]