SMIRKS
O=[C:4]([C:3]([C:2]([C:1]([H:24])([H:25])[H:26])([H:22])[H:23])([H:20])[H:21])[C:6](=[O:7])[O:8][H:19].[H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[N:9]([H:39])[H:40]>>[H][C:4]([C:3]([C:2]([C:1]([H:24])([H:25])[H:26])([H:22])[H:23])([H:20])[H:21])([C:6](=[O:7])[O:8][H:19])[N:9]([H:39])[H:40]
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-R3665
[C:1]([C:2]([C:3]([C:4](=[O:5])[C:6](=[O:7])[O:8][H:19])([H:20])[H:21])([H:22])[H:23])([H:24])([H:25])[H:26].[H][C:10]([N:9]([H:39])[H:40])([C:11]([C:12]([C:13]([C@:14]([N:15]([H:27])[H:28])([C:16](=[O:17])[O:18][H:29])[H:30])([H:31])[H:32])([H:33])[H:34])([H:35])[H:36])[H:37]>>[H][C:4]([C:3]([C:2]([C:1]([H:24])([H:25])[H:26])([H:22])[H:23])([H:20])[H:21])([C:6](=[O:7])[O:8][H:19])[N:9]([H:39])[H:40].[O:5]=[C:10]([C:11]([C:12]([C:13]([C@:14]([N:15]([H:27])[H:28])([C:16](=[O:17])[O:18][H:29])[H:30])([H:31])[H:32])([H:33])[H:34])([H:35])[H:36])[H:37]