SMIRKS
[H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[N:1]([H:34])[H:35].O=[C:17]([C:16]([C:15]([C:14]([C:12](=[O:11])[O:13][H:36])([H:42])[H:43])([H:40])[H:41])([H:38])[H:39])[C:19](=[O:20])[O:21][H:37]>>[H][C:17]([N:1]([H:34])[H:35])([C:16]([C:15]([C:14]([C:12](=[O:11])[O:13][H:36])([H:42])[H:43])([H:40])[H:41])([H:38])[H:39])[C:19](=[O:20])[O:21][H:37]
Derived Operators
EVODEX.1-F140 - Elemental Balance
| O | -3 |
| C | -6 |
| N | -1 |
| H | -11 |
EVODEX.1-M247 - Mass Difference
-145.07393
EVODEX.1-E795 - Reaction Operator E
[#6:4]-[#6:5](=[#8])-[#6:7]=[#8:8].[#7](-[#6](-[#6](-[#6](-[#6](-[#6@](-[#7:16](-[H:28])-[H:29])(-[#6](=[#8])-[#8]-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H]>>[#6:4]-[#6@@:5](-[#6:7]=[#8:8])(-[#7:16](-[H:28])-[H:29])-[H]
EVODEX.1-C457 - Reaction Operator C
[#8]=[#6:5].[H]-[#8]-[#6](=[#8])-[#6@](-[H])(-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#7](-[H])-[H])-[#7:16]>>[H]-[#6@:5]-[#7:16]
EVODEX.1-N554 - Reaction Operator N
[#8]=[#6:5](-[#6:4])-[#6:7].[H]-[#8]-[#6](=[#8])-[#6@](-[H])(-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#7](-[H])-[H])-[#7:16](-[H:28])-[H:29]>>[H]-[#6@:5](-[#6:4])(-[#6:7])-[#7:16](-[H:28])-[H:29]
EVODEX.1-Em811 - Reaction Operator Em
[#8]=[#6:3](-[#6:2])-[#6:5]=[#8:6].[#6]-[#6](-[H])(-[H])-[#7:8]>>[H]-[#6:3](-[#6:2])(-[#6:5]=[#8:6])-[#7:8]
EVODEX.1-Nm729 - Reaction Operator Nm
[#8]=[#6:3](-[#6:2])-[#6:5].[#6]-[#6](-[H])(-[H])-[#7:8]>>[H]-[#6:3](-[#6:2])(-[#6:5])-[#7:8]
Source Full Reactions
EVODEX.1-R3661
[H][C:2]([N:1]([H:34])[H:35])([C:3]([C:4]([C:5]([C@:6]([N:7]([H:22])[H:23])([C:8](=[O:9])[O:10][H:24])[H:25])([H:26])[H:27])([H:28])[H:29])([H:30])[H:31])[H:32].[O:11]=[C:12]([O:13][H:36])[C:14]([C:15]([C:16]([C:17](=[O:18])[C:19](=[O:20])[O:21][H:37])([H:38])[H:39])([H:40])[H:41])([H:42])[H:43]>>[C:2]([C:3]([C:4]([C:5]([C@:6]([N:7]([H:22])[H:23])([C:8](=[O:9])[O:10][H:24])[H:25])([H:26])[H:27])([H:28])[H:29])([H:30])[H:31])(=[O:18])[H:32].[H][C:17]([N:1]([H:34])[H:35])([C:16]([C:15]([C:14]([C:12](=[O:11])[O:13][H:36])([H:42])[H:43])([H:40])[H:41])([H:38])[H:39])[C:19](=[O:20])[O:21][H:37]