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EVODEX.1-P95

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][C:54]([C@@:52]([C:51]([C:50]([O:49][H:94])([H:92])[H:93])([H:90])[H:91])([O:53][H:85])[H:89])([O:55][H])[H:87]>>[O:49]([C:50]([C:51]([C@@:52]([O:53][H:85])([C:54](=[O:55])[H:87])[H:89])([H:90])[H:91])([H:92])[H:93])[H:94]

Derived Operators

EVODEX.1-F4 - Elemental Balance

H-2

EVODEX.1-M5 - Mass Difference

-2.01566

EVODEX.1-E40 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:10](-[#6@:9])(-[#8:11]-[H])(-[H:191])-[H]>>[#6:10](-[#6@:9])(=[#8:11])-[H:191]

EVODEX.1-C33 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6:7]-[#8:8]-[H]>>[#6:7]=[#8:8]

EVODEX.1-N22 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6:7](-[#6:6])(-[#8:8]-[H])-[H:12]>>[#6:6]-[#6:7](=[#8:8])-[H:12]

EVODEX.1-Em77 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:9](-[#6:8])-[#8:10]-[H]>>[#6:8]-[#6:9]=[#8:10]

EVODEX.1-Cm43 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#6:50]-[#8:51]-[H]>>[#6:50]=[#8:51]

EVODEX.1-Nm51 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

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

Source Full Reactions

EVODEX.1-R128

Full Reaction Rendering

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