EVODEX.1-P1042 - Partial Reaction

SMIRKS

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

Derived Operators

EVODEX.1-F4 - Elemental Balance

-2

EVODEX.1-M5 - Mass Difference

-2.01566

EVODEX.1-C19 - Reaction Operator C

[H]-[#6:1]-[#7:2].[H]-[#8:12]-[H]>>[#6:1]=[#8:12].[H]-[#7:2]

EVODEX.1-N38 - Reaction Operator N

[H]-[#6@@:2](-[#7:1](-[H:36])-[H:37])(-[#6:3])-[#6:14].[H]-[#8:17]-[H]>>[#6:2](-[#6:3])(-[#6:14])=[#8:17].[H]-[#7:1](-[H:36])-[H:37]

EVODEX.1-Em338 - Reaction Operator Em

[H]-[#6:2](-[#7:1])(-[#6:3])-[#6:14]=[#8:15].[H]-[#8:17]-[H]>>[#6:2](-[#6:3])(-[#6:14]=[#8:15])=[#8:17].[H]-[#7:1]

EVODEX.1-Cm56 - Reaction Operator Cm

[H]-[#6:1]-[#7:2].[H]-[#8:12]-[H]>>[#6:1]=[#8:12].[H]-[#7:2]

EVODEX.1-Nm110 - Reaction Operator Nm

[H]-[#6:2](-[#7:1])(-[#6:3])-[#6:14].[H]-[#8:17]-[H]>>[#6:2](-[#6:3])(-[#6:14])=[#8:17].[H]-[#7:1]

Source Full Reactions

EVODEX.1-R1001

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