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EVODEX.1-P3328

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[N:1]([C:2]1:[N:3]:[C:4]2:[C:5](:[N:6]:[C:7]([H:51]):[N:8]:2[C@@:9]2([H:52])[C:10]([H:53])([H:54])[C@@:11]([O:12][H:55])([H:56])[C@:13]([C:14]([O:15][P:16](=[O:17])([O:18][H:57])[O:19][P:20](=[O:21])([O:22][H:58])[O:23][P:24](=[O:25])([O:26][H:59])[O:27][H:60])([H:61])[H:62])([H:63])[O:28]2):[C:29](=[O:30]):[N:31]:1[H:64])([H:65])[H:66]>>[H][O:23][P:20]([O:19][P:16]([O:15][C:14]([C@:13]1([H:63])[C@:11]([O:12][H:55])([H:56])[C:10]([H:53])([H:54])[C@@:9]([N:8]2:[C:4]3:[N:3]:[C:2]([N:1]([H:65])[H:66]):[N:31]([H:64]):[C:29](=[O:30]):[C:5]:3:[N:6]:[C:7]:2[H:51])([H:52])[O:28]1)([H:61])[H:62])(=[O:17])[O:18][H:57])(=[O:21])[O:22][H:58].[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(N2:C([H]):N:C3:C(N([H])[H]):N:C([H]):N:C:3:2)O[C@]1([H])C([H])([H])O[P:24](=[O:25])([O:26][H:59])[O:27][H:60]

Derived Operators

EVODEX.1-F68 - Elemental Balance

O4
C10
N5
H13

EVODEX.1-M104 - Mass Difference

267.09689000000003

EVODEX.1-E614 - Reaction Operator E

Reaction Operator E SMIRKS

[#8:24]-[#15:25](=[#8:26])(-[#8:27])-[#8:28]-[#15:29]>>[#7](-[#6]1:[#7]:[#6](-[H]):[#7]:[#6]2:[#6]:1:[#7]:[#6](-[H]):[#7]:2-[#6@]1(-[H])-[#8]-[#6@@](-[#6](-[#8]-[#15:25](-[#8:24])(=[#8:26])-[#8:27])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@]-1(-[#8]-[H])-[H])(-[H])-[H].[#8:28](-[#15:29])-[H]

EVODEX.1-C1080 - Reaction Operator C

Reaction Operator C SMIRKS

([#8:23]-[#15:24].[#6@@:11])>>([H]-[#8:23].[#6@:11]).[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:2:3)-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15:24]

EVODEX.1-N1328 - Reaction Operator N

Reaction Operator N SMIRKS

([#6:10]-[#6@@:11](-[#8:12])(-[H:56])-[#6@:13].[#15:20]-[#8:23]-[#15:24](=[#8:25])(-[#8:26])-[#8:27])>>([H]-[#8:23]-[#15:20].[#8:12]-[#6@@:11](-[#6@:13])(-[H:56])-[#6:10]).[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:2:3)-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15:24](=[#8:25])(-[#8:26])-[#8:27]

EVODEX.1-Em9 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#15:11]-[#8:14]-[#15:15](=[#8:16])(-[#8:17])-[#8:18]>>[#6]-[#8]-[#15:15](=[#8:16])(-[#8:17])-[#8:18].[H]-[#8:14]-[#15:11]

EVODEX.1-Cm10 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#8:7]-[#15:8]>>[H]-[#8:7].[#8]-[#15:8]

EVODEX.1-Nm10 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#15:11]-[#8:14]-[#15:15](=[#8:16])(-[#8:17])-[#8:18]>>[#6]-[#8]-[#15:15](=[#8:16])(-[#8:17])-[#8:18].[H]-[#8:14]-[#15:11]

Source Full Reactions

EVODEX.1-R3976

Full Reaction Rendering

[N:1]([C:2]1:[N:3]:[C:4]2:[C:5](:[N:6]:[C:7]([H:51]):[N:8]:2[C@@:9]2([H:52])[C:10]([H:53])([H:54])[C@@:11]([O:12][H:55])([H:56])[C@:13]([C:14]([O:15][P:16](=[O:17])([O:18][H:57])[O:19][P:20](=[O:21])([O:22][H:58])[O:23][P:24](=[O:25])([O:26][H:59])[O:27][H:60])([H:61])[H:62])([H:63])[O:28]2):[C:29](=[O:30]):[N:31]:1[H:64])([H:65])[H:66].[H][O:46][C:45]([C@@:44]1([H:73])[O:43][C@:42]([N:41]2:[C:37]3:[N:36]:[C:35]([H:67]):[N:34]:[C:33]([N:32]([H:78])[H:79]):[C:38]:3:[N:39]:[C:40]:2[H:68])([H:69])[C@@:49]([O:50][H:76])([H:77])[C@@:47]1([O:48][H:74])[H:75])([H:71])[H:72]>>[H][O:23][P:20]([O:19][P:16]([O:15][C:14]([C@:13]1([H:63])[C@:11]([O:12][H:55])([H:56])[C:10]([H:53])([H:54])[C@@:9]([N:8]2:[C:4]3:[N:3]:[C:2]([N:1]([H:65])[H:66]):[N:31]([H:64]):[C:29](=[O:30]):[C:5]:3:[N:6]:[C:7]:2[H:51])([H:52])[O:28]1)([H:61])[H:62])(=[O:17])[O:18][H:57])(=[O:21])[O:22][H:58].[P:24](=[O:25])([O:26][H:59])([O:27][H:60])[O:46][C:45]([C@@:44]1([H:73])[O:43][C@:42]([N:41]2:[C:37]3:[N:36]:[C:35]([H:67]):[N:34]:[C:33]([N:32]([H:78])[H:79]):[C:38]:3:[N:39]:[C:40]:2[H:68])([H:69])[C@@:49]([O:50][H:76])([H:77])[C@@:47]1([O:48][H:74])[H:75])([H:71])[H:72]