SMIRKS
[C:1]([O:2][C:3]1:[C:4]([H:27]):[C:5]([H:28]):[C:6]([C:7]([C:8]([C:9]([C:10]([H:29])([H:30])[H:31])=[O:11])([H:32])[H:33])([H:34])[H:35]):[C:12]([H:36]):[C:13]:1[H:37])([H:38])([H:39])[H:40]>>[H]N([H])[C@@:9]([H])([C:8]([C:7]([C:6]1:[C:5]([H:28]):[C:4]([H:27]):[C:3]([O:2][C:1]([H:38])([H:39])[H:40]):[C:13]([H:37]):[C:12]:1[H:36])([H:34])[H:35])([H:32])[H:33])[C:10]([H:29])([H:30])[H:31].[H]OC(=O)C(C([H])([H])[H])=[O:11]
Derived Operators
EVODEX.1-F147 - Elemental Balance
| O | 2 |
| C | 3 |
| N | 1 |
| H | 7 |
EVODEX.1-M46 - Mass Difference
89.04771000000001
EVODEX.1-E809 - Reaction Operator E
[#6:3]-[#6:4](-[#6:5])=[#8:6]>>[#6:3]-[#6@@:4](-[#6:5])(-[#7](-[H])-[H])-[H].[#8:6]=[#6](-[#6](-[H])(-[H])-[H])-[#6](=[#8])-[#8]-[H]
EVODEX.1-C125 - Reaction Operator C
[#6:8]=[#8:10]>>[H]-[#7](-[H])-[#6@@:8]-[H].[H]-[#8]-[#6](=[#8])-[#6](-[#6](-[H])(-[H])-[H])=[#8:10]
EVODEX.1-N539 - Reaction Operator N
[#6:7]-[#6:8](-[#6:9])=[#8:10]>>[H]-[#7](-[H])-[#6@@:8](-[H])(-[#6:7])-[#6:9].[H]-[#8]-[#6](=[#8])-[#6](-[#6](-[H])(-[H])-[H])=[#8:10]
EVODEX.1-Em149 - Reaction Operator Em
[#6:30]-[#6:32](=[#8:33])-[#6:34]>>[H]-[#7](-[H])-[#6:32](-[H])(-[#6:30])-[#6:34].[#6](=[#8])-[#6](-[#6])=[#8:33]
EVODEX.1-Nm14 - Reaction Operator Nm
[#6:11]-[#6:13](=[#8:14])-[#6:15]>>[#6]-[#6](-[#6])=[#8:14].[H]-[#7](-[H])-[#6:13](-[H])(-[#6:11])-[#6:15]
Source Full Reactions
EVODEX.1-R3606
[H][C@:15]([C:14]([H:24])([H:25])[H:26])([N:16]([H:20])[H:21])[C:17](=[O:18])[O:19][H:22].[C:1]([O:2][C:3]1:[C:4]([H:27]):[C:5]([H:28]):[C:6]([C:7]([C:8]([C:9]([C:10]([H:29])([H:30])[H:31])=[O:11])([H:32])[H:33])([H:34])[H:35]):[C:12]([H:36]):[C:13]:1[H:37])([H:38])([H:39])[H:40]>>[H][C@:9]([C:8]([C:7]([C:6]1:[C:5]([H:28]):[C:4]([H:27]):[C:3]([O:2][C:1]([H:38])([H:39])[H:40]):[C:13]([H:37]):[C:12]:1[H:36])([H:34])[H:35])([H:32])[H:33])([C:10]([H:29])([H:30])[H:31])[N:16]([H:20])[H:21].[O:11]=[C:15]([C:14]([H:24])([H:25])[H:26])[C:17](=[O:18])[O:19][H:22]