SMIRKS
[H][C@:9]([N:8]([H:35])[H:36])([C:10]([C:11]1:[C:12]([H:26]):[C:13]([H:27]):[C:14]([H:28]):[C:15]([H:29]):[C:16]:1[H:30])([H:31])[H:32])[C:17](=[O:18])[O:19][H:33]>>[H]OC(=O)C([H])(C([H])([H])C([H])([H])[H])[N:8]([H:35])[H:36].O=[C:9]([C:10]([C:11]1:[C:12]([H:26]):[C:13]([H:27]):[C:14]([H:28]):[C:15]([H:29]):[C:16]:1[H:30])([H:31])[H:32])[C:17](=[O:18])[O:19][H:33]
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-R3641
[C:1]([C:2]([C:3](=[O:4])[C:5](=[O:6])[O:7][H:20])([H:21])[H:22])([H:23])([H:24])[H:25].[H][C@:9]([N:8]([H:35])[H:36])([C:10]([C:11]1:[C:12]([H:26]):[C:13]([H:27]):[C:14]([H:28]):[C:15]([H:29]):[C:16]:1[H:30])([H:31])[H:32])[C:17](=[O:18])[O:19][H:33]>>[H][C:3]([C:2]([C:1]([H:23])([H:24])[H:25])([H:21])[H:22])([C:5](=[O:6])[O:7][H:20])[N:8]([H:35])[H:36].[O:4]=[C:9]([C:10]([C:11]1:[C:12]([H:26]):[C:13]([H:27]):[C:14]([H:28]):[C:15]([H:29]):[C:16]:1[H:30])([H:31])[H:32])[C:17](=[O:18])[O:19][H:33]