SMIRKS
[H]OC(=O)C(C([H])([H])[H])=[O:3].[H]N([H])[C:8]([H])([C:9]([C:10]([C:11]([N:12]([H:17])[H:18])([H:19])[H:20])([H:21])[H:22])([H:23])[H:24])[H:25]>>[O:3]=[C:8]([C:9]([C:10]([C:11]([N:12]([H:17])[H:18])([H:19])[H:20])([H:21])[H:22])([H:23])[H:24])[H:25]
Derived Operators
EVODEX.1-F263 - Elemental Balance
| O | -2 |
| C | -3 |
| N | -1 |
| H | -7 |
EVODEX.1-M49 - Mass Difference
-89.04771000000001
EVODEX.1-E995 - Reaction Operator E
[#6](-[#6](=[#8:3])-[#6](=[#8])-[#8]-[H])(-[H])(-[H])-[H].[#7](-[#6:8](-[#6:9])(-[H:20])-[H])(-[H])-[H]>>[#8:3]=[#6:8](-[#6:9])-[H:20]
EVODEX.1-C123 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6](-[#6](-[H])(-[H])-[H])=[#8:3].[H]-[#7](-[H])-[#6:14]-[H]>>[#8:3]=[#6:14]
EVODEX.1-N512 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6](-[#6](-[H])(-[H])-[H])=[#8:3].[H]-[#7](-[H])-[#6:8](-[H])(-[#6:9])-[H:25]>>[#8:3]=[#6:8](-[#6:9])-[H:25]
EVODEX.1-Em111 - Reaction Operator Em
[H]-[#7](-[H])-[#6:13](-[H])-[#6:12].[#6](=[#8])-[#6](-[#6])=[#8:23]>>[#6:12]-[#6:13]=[#8:23]
EVODEX.1-Nm142 - Reaction Operator Nm
[H]-[#7](-[H])-[#6:13](-[H])-[#6:12].[#6]-[#6](-[#6])=[#8:23]>>[#6:12]-[#6:13]=[#8:23]
Source Full Reactions
EVODEX.1-R3530
[C:1]([C:2](=[O:3])[C:4](=[O:5])[O:6][H:13])([H:14])([H:15])[H:16].[H][C:8]([N:7]([H:27])[H:28])([C:9]([C:10]([C:11]([N:12]([H:17])[H:18])([H:19])[H:20])([H:21])[H:22])([H:23])[H:24])[H:25]>>[H][C@:2]([C:1]([H:14])([H:15])[H:16])([C:4](=[O:5])[O:6][H:13])[N:7]([H:27])[H:28].[O:3]=[C:8]([C:9]([C:10]([C:11]([N:12]([H:17])[H:18])([H:19])[H:20])([H:21])[H:22])([H:23])[H:24])[H:25]