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EVODEX.1-P890

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([C:2]([C:3]([C:4](=[O:5])[C:6]1:[C:7]([H:57]):[C:8]([H:58]):[C:9]([H:59]):[C:10]([H:60]):[C:11]:1[H:61])([H:62])[H:63])([H:64])[H:65])([H:66])([H:67])[H:68]>>[H]N([H])[C@:4]([H])([C:3]([C:2]([C:1]([H:66])([H:67])[H:68])([H:64])[H:65])([H:62])[H:63])[C:6]1:[C:7]([H:57]):[C:8]([H:58]):[C:9]([H:59]):[C:10]([H:60]):[C:11]:1[H:61].[H][O:5][H]

Derived Operators

EVODEX.1-F190 - Elemental Balance

N1
H5

EVODEX.1-M70 - Mass Difference

19.04225

EVODEX.1-E887 - Reaction Operator E

Reaction Operator E SMIRKS

[#8:46]=[#6:47](-[#6:48])-[#6:50]>>[#7](-[#6@:47](-[#6:48])(-[#6:50])-[H])(-[H])-[H].[#8:46](-[H])-[H]

EVODEX.1-C58 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N36 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:3]-[#6:5](=[#8:6])-[#6:7]>>[H]-[#7](-[H])-[#6@:5](-[H])(-[#6:3])-[#6:7].[H]-[#8:6]-[H]

EVODEX.1-Em334 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#8:46]=[#6:47](-[#6:48])-[#6:52]>>[H]-[#7](-[H])-[#6:47](-[H])(-[#6:48])-[#6:52].[H]-[#8:46]-[H]

EVODEX.1-Cm95 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#8:2]=[#6:3]>>[#7]-[#6:3]-[H].[H]-[#8:2]-[H]

EVODEX.1-Nm108 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:3]-[#6:5](=[#8:6])-[#6:7]>>[H]-[#7](-[H])-[#6:5](-[H])(-[#6:3])-[#6:7].[H]-[#8:6]-[H]

Source Full Reactions

EVODEX.1-R871

Full Reaction Rendering

[C:1]([C:2]([C:3]([C:4](=[O:5])[C:6]1:[C:7]([H:57]):[C:8]([H:58]):[C:9]([H:59]):[C:10]([H:60]):[C:11]:1[H:61])([H:62])[H:63])([H:64])[H:65])([H:66])([H:67])[H:68].[HH].[H][C:56]1([H:94])[C:16]([C:14]([N:13]([H:96])[H:97])=[O:15])=[C:17]([H:69])[N:18]([C@:19]2([H:70])[O:20][C@@:21]([C:22]([O:23][P:24](=[O:25])([O:26][H:71])[O:27][P:28](=[O:29])([O:30][H:72])[O:31][C:32]([C@@:33]3([H:73])[O:34][C@:35]([N:36]4:[C:37]([H:74]):[N:38]:[C:39]5:[C:40]([N:41]([H:75])[H:76]):[N:42]:[C:43]([H:77]):[N:44]:[C:45]:4:5)([H:78])[C@@:46]([O:47][H:79])([H:80])[C@@:48]3([O:49][H:81])[H:82])([H:83])[H:84])([H:85])[H:86])([H:87])[C@:50]([O:51][H:88])([H:89])[C@:52]2([O:53][H:90])[H:91])[C:54]([H:92])=[C:55]1[H:93].[H][N:12]([H:98])[H:99]>>[H][C@@:4]([C:3]([C:2]([C:1]([H:66])([H:67])[H:68])([H:64])[H:65])([H:62])[H:63])([C:6]1:[C:7]([H:57]):[C:8]([H:58]):[C:9]([H:59]):[C:10]([H:60]):[C:11]:1[H:61])[N:12]([H:98])[H:99].[N:13]([C:14](=[O:15])[C:16]1:[C:17]([H:69]):[N+:18]([C@:19]2([H:70])[O:20][C@@:21]([C:22]([O:23][P:24](=[O:25])([O:26][H:71])[O:27][P:28](=[O:29])([O:30][H:72])[O:31][C:32]([C@@:33]3([H:73])[O:34][C@:35]([N:36]4:[C:37]([H:74]):[N:38]:[C:39]5:[C:40]([N:41]([H:75])[H:76]):[N:42]:[C:43]([H:77]):[N:44]:[C:45]:4:5)([H:78])[C@@:46]([O:47][H:79])([H:80])[C@@:48]3([O:49][H:81])[H:82])([H:83])[H:84])([H:85])[H:86])([H:87])[C@:50]([O:51][H:88])([H:89])[C@:52]2([O:53][H:90])[H:91]):[C:54]([H:92]):[C:55]([H:93]):[C:56]:1[H:94])([H:96])[H:97].[H][O:5][H]