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EVODEX.1-P7120

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([C:2]([C@:3]([N:4]([C:5](=[O:6])[C:7]([C:8]([C:9]([H:54])([H:55])[H:56])([C:10]([N:11]([H:57])[H:58])([C:12](=[O:13])[O:14][H:59])[H:60])[H:61])([H:62])[H:63])[H:64])([C:15](=[O:16])[O:17][H:65])[H:66])([H:67])[H:68])([H:69])([H:70])[H:71]>>[H]OC(=O)C([H])([H])N([H])[C:15]([C@:3]([C:2]([C:1]([H:69])([H:70])[H:71])([H:67])[H:68])([N:4]([C:5](=[O:6])[C:7]([C:8]([C:9]([H:54])([H:55])[H:56])([C:10]([N:11]([H:57])[H:58])([C:12](=[O:13])[O:14][H:59])[H:60])[H:61])([H:62])[H:63])[H:64])[H:66])=[O:16].[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])OP(=O)(O[H])OP(=O)(O[H])[O:17][H:65]

Derived Operators

EVODEX.1-F559 - Elemental Balance

P2
O11
C12
N6
H18

EVODEX.1-M527 - Mass Difference

484.05103999999994

EVODEX.1-E1382 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:42](-[#6@:40])(=[#8:43])-[#8:44]-[H:105]>>[#6:42](-[#6@:40])(=[#8:43])-[#7](-[#6](-[#6](=[#8])-[#8]-[H])(-[H])-[H])-[H].[#8:44](-[#15](-[#8]-[#15](-[#8]-[#6](-[#6@@]1(-[H])-[#8]-[#6@](-[#7]2:[#6]3:[#7]:[#6](-[H]):[#7]:[#6](-[#7](-[H])-[H]):[#6]:3:[#7]:[#6]:2-[H])(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@@]-1(-[#8]-[H])-[H])(-[H])-[H])(=[#8])-[#8]-[H])(=[#8])-[#8]-[H])-[H:105]

EVODEX.1-C815 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:7]-[#8:9]>>[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#7](-[H])-[#6:7].[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](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:9]

EVODEX.1-N1026 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:7](-[#6@:5])(=[#8:8])-[#8:9]-[H:48]>>[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#7](-[H])-[#6:7](-[#6@:5])=[#8:8].[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](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:9]-[H:48]

EVODEX.1-Em21 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:40]-[#6:42](=[#8:43])-[#8:44]>>[#6]-[#7](-[H])-[#6:42](-[#6:40])=[#8:43].[#8]-[#15](=[#8])(-[#8])-[#8:44]

EVODEX.1-Cm35 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:42]-[#8:44]>>[#7]-[#6:42].[#15]-[#8:44]

EVODEX.1-Nm21 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:40]-[#6:42](=[#8:43])-[#8:44]>>[#6]-[#7](-[H])-[#6:42](-[#6:40])=[#8:43].[#8]-[#15](=[#8])(-[#8])-[#8:44]

Source Full Reactions

EVODEX.1-R7706

Full Reaction Rendering

[C:1]([C:2]([C@:3]([N:4]([C:5](=[O:6])[C:7]([C:8]([C:9]([H:54])([H:55])[H:56])([C:10]([N:11]([H:57])[H:58])([C:12](=[O:13])[O:14][H:59])[H:60])[H:61])([H:62])[H:63])[H:64])([C:15](=[O:16])[O:17][H:65])[H:66])([H:67])[H:68])([H:69])([H:70])[H:71].[H][N:18]([C:19]([C:20](=[O:21])[O:22][H:72])([H:73])[H:74])[H:75].[N:23]([C:24]1:[N:25]:[C:26]([H:77]):[N:27]:[C:28]2:[C:29]:1:[N:30]:[C:31]([H:78]):[N:32]:2[C@:33]1([H:79])[O:34][C@@:35]([C:36]([O:37][P:38](=[O:39])([O:40][H:80])[O:41][P:42](=[O:43])([O:44][H:81])[O:45][P:46](=[O:47])([O:48][H:82])[O:49][H:83])([H:84])[H:85])([H:86])[C@:50]([O:51][H:87])([H:88])[C@:52]1([O:53][H:89])[H:90])([H:91])[H:92]>>[C:1]([C:2]([C@:3]([N:4]([C:5](=[O:6])[C:7]([C:8]([C:9]([H:54])([H:55])[H:56])([C:10]([N:11]([H:57])[H:58])([C:12](=[O:13])[O:14][H:59])[H:60])[H:61])([H:62])[H:63])[H:64])([C:15](=[O:16])[N:18]([C:19]([C:20](=[O:21])[O:22][H:72])([H:73])[H:74])[H:75])[H:66])([H:67])[H:68])([H:69])([H:70])[H:71].[O:17]([P:42]([O:41][P:38]([O:37][C:36]([C@@:35]1([H:86])[O:34][C@:33]([N:32]2:[C:28]3:[N:27]:[C:26]([H:77]):[N:25]:[C:24]([N:23]([H:91])[H:92]):[C:29]:3:[N:30]:[C:31]:2[H:78])([H:79])[C@@:52]([O:53][H:89])([H:90])[C@@:50]1([O:51][H:87])[H:88])([H:84])[H:85])(=[O:39])[O:40][H:80])(=[O:43])[O:44][H:81])[H:65].[H][O:45][P:46](=[O:47])([O:48][H:82])[O:49][H:83]