SMIRKS
[H][C:10]([C:9](=[C:8]([C:7]1:[C:6]([H:21]):[C:5]([H:20]):[C:4]([N:2]([C:1]([H:27])([H:28])[H:29])[C:3]([H:17])([H:18])[H:19]):[C:13]([H:26]):[C:12]:1[H:25])[H:24])[H:23])=[O:11].[O:15]=[O:16]>>[H]O[C:10]([C:9](=[C:8]([C:7]1:[C:6]([H:21]):[C:5]([H:20]):[C:4]([N:2]([C:1]([H:27])([H:28])[H:29])[C:3]([H:17])([H:18])[H:19]):[C:13]([H:26]):[C:12]:1[H:25])[H:24])[H:23])=[O:11].[H][O:15][O:16][H]
Derived Operators
EVODEX.1-M2 - Mass Difference
18.010559999999998
EVODEX.1-C101 - Reaction Operator C
[H]-[#6:6].[#8:15]=[#8:16]>>[H]-[#8]-[#6:6].[H]-[#8:15]-[#8:16]-[H]
EVODEX.1-N31 - Reaction Operator N
[H]-[#6:6](-[#6:5])=[#8:7].[#8:15]=[#8:16]>>[H]-[#8]-[#6:6](-[#6:5])=[#8:7].[H]-[#8:15]-[#8:16]-[H]
EVODEX.1-Em312 - Reaction Operator Em
[H]-[#6:8](-[#6:7]=[#6:6])=[#8:9].[#8:11]=[#8:12]>>[H]-[#8]-[#6:8](-[#6:7]=[#6:6])=[#8:9].[H]-[#8:11]-[#8:12]-[H]
EVODEX.1-Cm123 - Reaction Operator Cm
[H]-[#6:6].[#8:15]=[#8:16]>>[#8]-[#6:6].[H]-[#8:15]-[#8:16]-[H]
EVODEX.1-Nm102 - Reaction Operator Nm
[H]-[#6:6](-[#6:5])=[#8:7].[#8:15]=[#8:16]>>[H]-[#8]-[#6:6](-[#6:5])=[#8:7].[H]-[#8:15]-[#8:16]-[H]
Source Full Reactions
EVODEX.1-R733
[H][C:10]([C:9](=[C:8]([C:7]1:[C:6]([H:21]):[C:5]([H:20]):[C:4]([N:2]([C:1]([H:27])([H:28])[H:29])[C:3]([H:17])([H:18])[H:19]):[C:13]([H:26]):[C:12]:1[H:25])[H:24])[H:23])=[O:11].[O:15]=[O:16].[H][O:14][H:30]>>[C:1]([N:2]([C:3]([H:17])([H:18])[H:19])[C:4]1:[C:5]([H:20]):[C:6]([H:21]):[C:7]([C:8](=[C:9]([C:10](=[O:11])[O:14][H:30])[H:23])[H:24]):[C:12]([H:25]):[C:13]:1[H:26])([H:27])([H:28])[H:29].[H][O:15][O:16][H]