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EVODEX.1-P4

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][C:3]([C@@:2]([C:1]([H:74])([H:75])[H:76])([C:5]1:[C:6]([H:65]):[C:7]([H:66]):[C:8]([C:9]2:[C:10]([H:67]):[C:11]([H:68]):[C:12]([H:69]):[C:13]([H:70]):[C:14]:2[H:71]):[C:15]([H:72]):[C:16]:1[F:17])[H:73])([O:4][H])[H:63]>>[C:1]([C:2]([C:3](=[O:4])[H:63])([C:5]1:[C:6]([H:65]):[C:7]([H:66]):[C:8]([C:9]2:[C:10]([H:67]):[C:11]([H:68]):[C:12]([H:69]):[C:13]([H:70]):[C:14]:2[H:71]):[C:15]([H:72]):[C:16]:1[F:17])[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-R4

Full Reaction Rendering

[H][C:3]([C@@:2]([C:1]([H:74])([H:75])[H:76])([C:5]1:[C:6]([H:65]):[C:7]([H:66]):[C:8]([C:9]2:[C:10]([H:67]):[C:11]([H:68]):[C:12]([H:69]):[C:13]([H:70]):[C:14]:2[H:71]):[C:15]([H:72]):[C:16]:1[F:17])[H:73])([O:4][H])[H:63].[N:18]([C:19](=[O:20])[C:21]1:[C:22]([H:77]):[C:23]([H:78]):[C:24]([H:79]):[N+:25]([C@:26]2([H:80])[O:27][C@@:28]([C:29]([O:30][P:31](=[O:32])([O:33][H:81])[O:34][P:35](=[O:36])([O:37][H:82])[O:38][C:39]([C@@:40]3([H:83])[O:41][C@:42]([N:43]4:[C:44]([H:84]):[N:45]:[C:46]5:[C:47]([N:48]([H:85])[H:86]):[N:49]:[C:50]([H:87]):[N:51]:[C:52]:4:5)([H:88])[C@@:53]([O:54][H:89])([H:90])[C@@:55]3([O:56][H:91])[H:92])([H:93])[H:94])([H:95])[H:96])([H:97])[C@:57]([O:58][H:98])([H:99])[C@:59]2([O:60][H:100])[H:101]):[C:61]:1[H:102])([H:103])[H:104]>>[C:1]([C:2]([C:3](=[O:4])[H:63])([C:5]1:[C:6]([H:65]):[C:7]([H:66]):[C:8]([C:9]2:[C:10]([H:67]):[C:11]([H:68]):[C:12]([H:69]):[C:13]([H:70]):[C:14]:2[H:71]):[C:15]([H:72]):[C:16]:1[F:17])[H:73])([H:74])([H:75])[H:76].[HH].[H][C:22]1([H:77])[C:21]([C:19]([N:18]([H:103])[H:104])=[O:20])=[C:61]([H:102])[N:25]([C@:26]2([H:80])[O:27][C@@:28]([C:29]([O:30][P:31](=[O:32])([O:33][H:81])[O:34][P:35](=[O:36])([O:37][H:82])[O:38][C:39]([C@@:40]3([H:83])[O:41][C@:42]([N:43]4:[C:44]([H:84]):[N:45]:[C:46]5:[C:47]([N:48]([H:85])[H:86]):[N:49]:[C:50]([H:87]):[N:51]:[C:52]:4:5)([H:88])[C@@:53]([O:54][H:89])([H:90])[C@@:55]3([O:56][H:91])[H:92])([H:93])[H:94])([H:95])[H:96])([H:97])[C@:57]([O:58][H:98])([H:99])[C@:59]2([O:60][H:100])[H:101])[C:24]([H:79])=[C:23]1[H:78]