SMIRKS
[H][C@@:18]([C:17]([C:15]([C:14]1:[C:9]([N:8]([H:39])[H:40]):[C:10]([H:29]):[C:11]([H:30]):[C:12]([H:31]):[C:13]:1[H:32])=[O:16])([H:37])[H:38])([N:19]([H:33])[H:34])[C:20](=[O:21])[O:22][H:35]>>[H]OC(=O)C([H])(C([H])([H])C([H])([H])[H])[N:19]([H:33])[H:34].O=[C:18]([C:17]([C:15]([C:14]1:[C:9]([N:8]([H:39])[H:40]):[C:10]([H:29]):[C:11]([H:30]):[C:12]([H:31]):[C:13]:1[H:32])=[O:16])([H:37])[H:38])[C:20](=[O:21])[O:22][H:35]
Derived Operators
EVODEX.1-F134 - Elemental Balance
| O | 3 |
| C | 4 |
| H | 6 |
EVODEX.1-M25 - Mass Difference
102.03168
EVODEX.1-E783 - Reaction Operator E
[#7:8](-[#6@@:9](-[#6:10])(-[#6:12]=[#8:13])-[H])(-[H:26])-[H:27]>>[#6](-[#6](-[#6](-[#6](=[#8])-[#8]-[H])(-[#7:8](-[H:26])-[H:27])-[H])(-[H])-[H])(-[H])(-[H])-[H].[#8]=[#6:9](-[#6:10])-[#6:12]=[#8:13]
EVODEX.1-C451 - Reaction Operator C
[H]-[#6@:9]-[#7:8]>>[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[H])-[#7:8].[#8]=[#6:9]
EVODEX.1-N548 - Reaction Operator N
[H]-[#6@:9](-[#7:8](-[H:26])-[H:27])(-[#6:10])-[#6:12]>>[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[H])-[#7:8](-[H:26])-[H:27].[#8]=[#6:9](-[#6:10])-[#6:12]
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-R3826
[C:1]([C:2]([C:3](=[O:4])[C:5](=[O:6])[O:7][H:23])([H:24])[H:25])([H:26])([H:27])[H:28].[H][C@@:18]([C:17]([C:15]([C:14]1:[C:9]([N:8]([H:39])[H:40]):[C:10]([H:29]):[C:11]([H:30]):[C:12]([H:31]):[C:13]:1[H:32])=[O:16])([H:37])[H:38])([N:19]([H:33])[H:34])[C:20](=[O:21])[O:22][H:35]>>[H][C:3]([C:2]([C:1]([H:26])([H:27])[H:28])([H:24])[H:25])([C:5](=[O:6])[O:7][H:23])[N:19]([H:33])[H:34].[O:4]=[C:18]([C:17]([C:15]([C:14]1:[C:9]([N:8]([H:39])[H:40]):[C:10]([H:29]):[C:11]([H:30]):[C:12]([H:31]):[C:13]:1[H:32])=[O:16])([H:37])[H:38])[C:20](=[O:21])[O:22][H:35]