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EVODEX.1-P7

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][C:11]([C@:9]([C:8]1:[C:7]([H:63]):[C:6]2:[C:5]([H:62]):[C:4]([H:61]):[C:3]([O:2][C:1]([H:74])([H:75])[H:76]):[C:16]([H:73]):[C:15]:2:[C:14]([H:72]):[C:13]:1[H:71])([C:10]([H:64])([H:65])[H:66])[H:70])([O:12][H])[H:68]>>[C:1]([O:2][C:3]1:[C:4]([H:61]):[C:5]([H:62]):[C:6]2:[C:7]([H:63]):[C:8]([C:9]([C:10]([H:64])([H:65])[H:66])([C:11](=[O:12])[H:68])[H:70]):[C:13]([H:71]):[C:14]([H:72]):[C:15]:2:[C:16]:1[H:73])([H:74])([H:75])[H:76]

Derived Operators

EVODEX.1-F4 - Elemental Balance

H-2

EVODEX.1-M5 - Mass Difference

-2.01566

EVODEX.1-E53 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:66]-[#6@:67](-[#6:68](-[#8:69]-[H])(-[H:111])-[H])(-[#6:70])-[H:118]>>[#6:66]-[#6:67](-[#6:68](=[#8:69])-[H:111])(-[#6:70])-[H:118]

EVODEX.1-C191 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6:3](-[#6@@:2])-[#8:4]-[H]>>[#6:2]-[#6:3]=[#8:4]

EVODEX.1-N103 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6:3](-[#6@@:2](-[#6:1])(-[#6:5])-[H:82])(-[#8:4]-[H])-[H:67]>>[#6:1]-[#6:2](-[#6:3](=[#8:4])-[H:67])(-[#6:5])-[H:82]

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-R7

Full Reaction Rendering

[H][C:11]([C@:9]([C:8]1:[C:7]([H:63]):[C:6]2:[C:5]([H:62]):[C:4]([H:61]):[C:3]([O:2][C:1]([H:74])([H:75])[H:76]):[C:16]([H:73]):[C:15]:2:[C:14]([H:72]):[C:13]:1[H:71])([C:10]([H:64])([H:65])[H:66])[H:70])([O:12][H])[H:68].[N:17]([C:18](=[O:19])[C:20]1:[C:21]([H:77]):[C:22]([H:78]):[C:23]([H:79]):[N+:24]([C@:25]2([H:80])[O:26][C@@:27]([C:28]([O:29][P:30](=[O:31])([O:32][H:81])[O:33][P:34](=[O:35])([O:36][H:82])[O:37][C:38]([C@@:39]3([H:83])[O:40][C@:41]([N:42]4:[C:43]([H:84]):[N:44]:[C:45]5:[C:46]([N:47]([H:85])[H:86]):[N:48]:[C:49]([H:87]):[N:50]:[C:51]:4:5)([H:88])[C@@:52]([O:53][H:89])([H:90])[C@@:54]3([O:55][H:91])[H:92])([H:93])[H:94])([H:95])[H:96])([H:97])[C@:56]([O:57][H:98])([H:99])[C@:58]2([O:59][H:100])[H:101]):[C:60]:1[H:102])([H:103])[H:104]>>[C:1]([O:2][C:3]1:[C:4]([H:61]):[C:5]([H:62]):[C:6]2:[C:7]([H:63]):[C:8]([C:9]([C:10]([H:64])([H:65])[H:66])([C:11](=[O:12])[H:68])[H:70]):[C:13]([H:71]):[C:14]([H:72]):[C:15]:2:[C:16]:1[H:73])([H:74])([H:75])[H:76].[HH].[H][C:21]1([H:77])[C:20]([C:18]([N:17]([H:103])[H:104])=[O:19])=[C:60]([H:102])[N:24]([C@:25]2([H:80])[O:26][C@@:27]([C:28]([O:29][P:30](=[O:31])([O:32][H:81])[O:33][P:34](=[O:35])([O:36][H:82])[O:37][C:38]([C@@:39]3([H:83])[O:40][C@:41]([N:42]4:[C:43]([H:84]):[N:44]:[C:45]5:[C:46]([N:47]([H:85])[H:86]):[N:48]:[C:49]([H:87]):[N:50]:[C:51]:4:5)([H:88])[C@@:52]([O:53][H:89])([H:90])[C@@:54]3([O:55][H:91])[H:92])([H:93])[H:94])([H:95])[H:96])([H:97])[C@:56]([O:57][H:98])([H:99])[C@:58]2([O:59][H:100])[H:101])[C:23]([H:79])=[C:22]1[H:78]