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EVODEX.1-P3332

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][O:11][C:10]([C@:9]1([H:58])[C@:7]([O:8][H:53])([H:54])[C:6]([H:51])([H:52])[C@@:5]([N:4]2:[C:3]([H:49]):[C:2]([C:1]([H:60])([H:61])[H:62]):[C:16](=[O:17]):[N:15]([H:59]):[C:13]:2=[O:14])([H:50])[O:12]1)([H:56])[H:57].[H]O[C@@]1([H])C([H])([H])[C@]([H])(N2:C([H]):N:C3:C(=O):N([H]):C(N([H])[H]):N:C:3:2)O[C@]1([H])C([H])([H])OP(=O)(O[H])OP(=O)(O[H])O[P:41](=[O:42])([O:43][H:71])[O:44][H:72]>>[C:1]([C:2]1:[C:3]([H:49]):[N:4]([C@@:5]2([H:50])[C:6]([H:51])([H:52])[C@@:7]([O:8][H:53])([H:54])[C@:9]([C:10]([O:11][P:41](=[O:42])([O:43][H:71])[O:44][H:72])([H:56])[H:57])([H:58])[O:12]2):[C:13](=[O:14]):[N:15]([H:59]):[C:16]:1=[O:17])([H:60])([H:61])[H:62]

Derived Operators

EVODEX.1-F125 - Elemental Balance

P-2
O-10
C-10
N-5
H-15

EVODEX.1-M11 - Mass Difference

-427.02955

EVODEX.1-E759 - Reaction Operator E

Reaction Operator E SMIRKS

[#7](-[#6]1:[#7]:[#6]2:[#6](:[#7]:[#6](-[H]):[#7]:2-[#6@@]2(-[H])-[#6](-[H])(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@](-[#6](-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:24](=[#8:25])(-[#8:26])-[#8:27])(-[H])-[H])(-[H])-[#8]-2):[#6](=[#8]):[#7]:1-[H])(-[H])-[H].[#6:33]-[#8:34]-[H]>>[#15:24](=[#8:25])(-[#8:26])(-[#8:27])-[#8:34]-[#6:33]

EVODEX.1-C1081 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#8]-[#6@@]1(-[H])-[#6](-[H])(-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](=[#8]):[#7](-[H]):[#6](-[#7](-[H])-[H]):[#7]:[#6]:2:3)-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:40].([H]-[#8:12].[#6@:8])>>([#8:12]-[#15:40].[#6@@:8])

EVODEX.1-N1330 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8]-[#6@@]1(-[H])-[#6](-[H])(-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](=[#8]):[#7](-[H]):[#6](-[#7](-[H])-[H]):[#7]:[#6]:2:3)-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:40](=[#8:41])(-[#8:42])-[#8:43].[H]-[#8:12]-[#6:11]-[#6@:10]-[#6@:8](-[#8:9])(-[H:70])-[#6:7]>>[#6:7]-[#6@@:8](-[#8:9])(-[H:70])-[#6@:10]-[#6:11]-[#8:12]-[#15:40](=[#8:41])(-[#8:42])-[#8:43]

EVODEX.1-Em5 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#15]-[#8]-[#15:16](-[#8:15])(=[#8:17])-[#8:18].[H]-[#8:34]-[#6:33]>>[#8:15]-[#15:16](=[#8:17])(-[#8:18])-[#8:34]-[#6:33]

EVODEX.1-Cm9 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#8:27].[#8]-[#15:44]>>[#8:27]-[#15:44]

EVODEX.1-Nm6 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#15]-[#8]-[#15:16](-[#8:15])(=[#8:17])-[#8:18].[H]-[#8:34]-[#6:33]>>[#8:15]-[#15:16](=[#8:17])(-[#8:18])-[#8:34]-[#6:33]

Source Full Reactions

EVODEX.1-R3980

Full Reaction Rendering

[H][O:11][C:10]([C@:9]1([H:58])[C@:7]([O:8][H:53])([H:54])[C:6]([H:51])([H:52])[C@@:5]([N:4]2:[C:3]([H:49]):[C:2]([C:1]([H:60])([H:61])[H:62]):[C:16](=[O:17]):[N:15]([H:59]):[C:13]:2=[O:14])([H:50])[O:12]1)([H:56])[H:57].[N:18]([C:19]1:[N:20]:[C:21]2:[C:22](:[N:23]:[C:24]([H:63]):[N:25]:2[C@@:26]2([H:64])[C:27]([H:65])([H:66])[C@@:28]([O:29][H:67])([H:68])[C@:30]([C:31]([O:32][P:33](=[O:34])([O:35][H:69])[O:36][P:37](=[O:38])([O:39][H:70])[O:40][P:41](=[O:42])([O:43][H:71])[O:44][H:72])([H:73])[H:74])([H:75])[O:45]2):[C:46](=[O:47]):[N:48]:1[H:76])([H:77])[H:78]>>[C:1]([C:2]1:[C:3]([H:49]):[N:4]([C@@:5]2([H:50])[C:6]([H:51])([H:52])[C@@:7]([O:8][H:53])([H:54])[C@:9]([C:10]([O:11][P:41](=[O:42])([O:43][H:71])[O:44][H:72])([H:56])[H:57])([H:58])[O:12]2):[C:13](=[O:14]):[N:15]([H:59]):[C:16]:1=[O:17])([H:60])([H:61])[H:62].[H][O:40][P:37]([O:36][P:33]([O:32][C:31]([C@:30]1([H:75])[C@:28]([O:29][H:67])([H:68])[C:27]([H:65])([H:66])[C@@:26]([N:25]2:[C:21]3:[N:20]:[C:19]([N:18]([H:77])[H:78]):[N:48]([H:76]):[C:46](=[O:47]):[C:22]:3:[N:23]:[C:24]:2[H:63])([H:64])[O:45]1)([H:73])[H:74])(=[O:34])[O:35][H:69])(=[O:38])[O:39][H:70]