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EVODEX.1-P3257

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[N:1]([C:2]1:[C:3]([H:49]):[C:4]([H:50]):[N:5]([C@:6]2([H:51])[O:7][C@@:8]([C:9]([O:10][P:11](=[O:12])([O:13][H:52])[O:14][P:15](=[O:16])([O:17][H:53])[O:18][P:19](=[O:20])([O:21][H:54])[O:22][H:55])([H:56])[H:57])([H:58])[C@:23]([O:24][H:59])([H:60])[C@:25]2([O:26][H:61])[H:62]):[C:27](=[O:28]):[N:29]:1)([H:63])[H:64]>>[H][O:18][P:15]([O:14][P:11]([O:10][C:9]([C@@:8]1([H:58])[O:7][C@:6]([N:5]2:[C:4]([H:50]):[C:3]([H:49]):[C:2]([N:1]([H:63])[H:64]):[N:29]:[C:27]:2=[O:28])([H:51])[C@@:25]([O:26][H:61])([H:62])[C@@:23]1([O:24][H:59])[H:60])([H:56])[H:57])(=[O:12])[O:13][H:52])(=[O:16])[O:17][H:53].[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])O[P:19](=[O:20])([O:21][H:54])[O:22][H:55]

Derived Operators

EVODEX.1-F68 - Elemental Balance

O4
C10
N5
H13

EVODEX.1-M104 - Mass Difference

267.09689000000003

EVODEX.1-E615 - Reaction Operator E

Reaction Operator E SMIRKS

[#8:20]=[#15:21](-[#8:22])(-[#8:23])-[#8:24]-[#15:25]>>[#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]-[#15:21](=[#8:20])(-[#8:22])-[#8:23])(-[H])-[H])(-[H])-[#8]-2):[#6](=[#8]):[#7]:1-[H])(-[H])-[H].[#8:24](-[#15:25])-[H]

EVODEX.1-C973 - Reaction Operator C

Reaction Operator C SMIRKS

([#8:45]-[#15:46].[#6@:30]-[#6@:36])>>[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]-[#15:46].([H]-[#8:45].[#6@@:36]-[#6@@:30])

EVODEX.1-N1321 - Reaction Operator N

Reaction Operator N SMIRKS

([#15:18]-[#8:21]-[#15:22](=[#8:23])(-[#8:24])-[#8:25].[#8:27]-[#6@@:26](-[#6@@:11])(-[H:62])-[#6@:28](-[#6@:9])(-[#8:29])-[H:64])>>([H]-[#8:21]-[#15:18].[#8:29]-[#6@:28](-[#6@:9])(-[H:64])-[#6@@:26](-[#6@@:11])(-[#8:27])-[H:62]).[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]-[#15:22](=[#8:23])(-[#8:24])-[#8:25]

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-R3894

Full Reaction Rendering

[N:1]([C:2]1:[C:3]([H:49]):[C:4]([H:50]):[N:5]([C@:6]2([H:51])[O:7][C@@:8]([C:9]([O:10][P:11](=[O:12])([O:13][H:52])[O:14][P:15](=[O:16])([O:17][H:53])[O:18][P:19](=[O:20])([O:21][H:54])[O:22][H:55])([H:56])[H:57])([H:58])[C@:23]([O:24][H:59])([H:60])[C@:25]2([O:26][H:61])[H:62]):[C:27](=[O:28]):[N:29]:1)([H:63])[H:64].[H][O:44][C:43]([C@:42]1([H:74])[C@:40]([O:41][H:69])([H:70])[C:39]([H:67])([H:68])[C@@:38]([N:37]2:[C:33]3:[N:32]:[C:31]([N:30]([H:76])[H:77]):[N:48]([H:75]):[C:46](=[O:47]):[C:34]:3:[N:35]:[C:36]:2[H:65])([H:66])[O:45]1)([H:72])[H:73]>>[H][O:18][P:15]([O:14][P:11]([O:10][C:9]([C@@:8]1([H:58])[O:7][C@:6]([N:5]2:[C:4]([H:50]):[C:3]([H:49]):[C:2]([N:1]([H:63])[H:64]):[N:29]:[C:27]:2=[O:28])([H:51])[C@@:25]([O:26][H:61])([H:62])[C@@:23]1([O:24][H:59])[H:60])([H:56])[H:57])(=[O:12])[O:13][H:52])(=[O:16])[O:17][H:53].[P:19](=[O:20])([O:21][H:54])([O:22][H:55])[O:44][C:43]([C@:42]1([H:74])[C@:40]([O:41][H:69])([H:70])[C:39]([H:67])([H:68])[C@@:38]([N:37]2:[C:33]3:[N:32]:[C:31]([N:30]([H:76])[H:77]):[N:48]([H:75]):[C:46](=[O:47]):[C:34]:3:[N:35]:[C:36]:2[H:65])([H:66])[O:45]1)([H:72])[H:73]