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EVODEX.1-P3

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][C:10]([C@:8]([C:7]1:[C:6]([H:61]):[C:4]([C:5]([H:58])([H:59])[H:60]):[C:3]([H:57]):[C:2]([C:1]([H:70])([H:71])[H:72]):[C:12]:1[H:69])([C:9]([H:62])([H:63])[H:64])[H:68])([O:11][H])[H:66]>>[C:1]([C:2]1:[C:3]([H:57]):[C:4]([C:5]([H:58])([H:59])[H:60]):[C:6]([H:61]):[C:7]([C:8]([C:9]([H:62])([H:63])[H:64])([C:10](=[O:11])[H:66])[H:68]):[C:12]:1[H:69])([H:70])([H:71])[H:72]

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-R3

Full Reaction Rendering

[H][C:10]([C@:8]([C:7]1:[C:6]([H:61]):[C:4]([C:5]([H:58])([H:59])[H:60]):[C:3]([H:57]):[C:2]([C:1]([H:70])([H:71])[H:72]):[C:12]:1[H:69])([C:9]([H:62])([H:63])[H:64])[H:68])([O:11][H])[H:66].[N:13]([C:14](=[O:15])[C:16]1:[C:17]([H:73]):[C:18]([H:74]):[C:19]([H:75]):[N+:20]([C@:21]2([H:76])[O:22][C@@:23]([C:24]([O:25][P:26](=[O:27])([O:28][H:77])[O:29][P:30](=[O:31])([O:32][H:78])[O:33][C:34]([C@@:35]3([H:79])[O:36][C@:37]([N:38]4:[C:39]([H:80]):[N:40]:[C:41]5:[C:42]([N:43]([H:81])[H:82]):[N:44]:[C:45]([H:83]):[N:46]:[C:47]:4:5)([H:84])[C@@:48]([O:49][H:85])([H:86])[C@@:50]3([O:51][H:87])[H:88])([H:89])[H:90])([H:91])[H:92])([H:93])[C@:52]([O:53][H:94])([H:95])[C@:54]2([O:55][H:96])[H:97]):[C:56]:1[H:98])([H:99])[H:100]>>[C:1]([C:2]1:[C:3]([H:57]):[C:4]([C:5]([H:58])([H:59])[H:60]):[C:6]([H:61]):[C:7]([C:8]([C:9]([H:62])([H:63])[H:64])([C:10](=[O:11])[H:66])[H:68]):[C:12]:1[H:69])([H:70])([H:71])[H:72].[HH].[H][C:17]1([H:73])[C:16]([C:14]([N:13]([H:99])[H:100])=[O:15])=[C:56]([H:98])[N:20]([C@:21]2([H:76])[O:22][C@@:23]([C:24]([O:25][P:26](=[O:27])([O:28][H:77])[O:29][P:30](=[O:31])([O:32][H:78])[O:33][C:34]([C@@:35]3([H:79])[O:36][C@:37]([N:38]4:[C:39]([H:80]):[N:40]:[C:41]5:[C:42]([N:43]([H:81])[H:82]):[N:44]:[C:45]([H:83]):[N:46]:[C:47]:4:5)([H:84])[C@@:48]([O:49][H:85])([H:86])[C@@:50]3([O:51][H:87])[H:88])([H:89])[H:90])([H:91])[H:92])([H:93])[C@:52]([O:53][H:94])([H:95])[C@:54]2([O:55][H:96])[H:97])[C:19]([H:75])=[C:18]1[H:74]