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EVODEX.1-P11

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][C:3]([C@@:2]([C:1]([H:83])([H:84])[H:85])([C:5]1:[C:6]([H:69]):[C:7]([H:70]):[C:8]([H:71]):[C:9]([C:10]2([C:11]3:[C:12]([H:72]):[C:13]([H:73]):[C:14]([H:74]):[C:15]([H:75]):[C:16]:3[H:76])[O:17][C:18]([H:77])([H:78])[C:19]([H:79])([H:80])[O:20]2):[C:21]:1[H:81])[H:82])([O:4][H])[H:67]>>[C:1]([C:2]([C:3](=[O:4])[H:67])([C:5]1:[C:6]([H:69]):[C:7]([H:70]):[C:8]([H:71]):[C:9]([C:10]2([C:11]3:[C:12]([H:72]):[C:13]([H:73]):[C:14]([H:74]):[C:15]([H:75]):[C:16]:3[H:76])[O:17][C:18]([H:77])([H:78])[C:19]([H:79])([H:80])[O:20]2):[C:21]:1[H:81])[H:82])([H:83])([H:84])[H:85]

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-R11

Full Reaction Rendering

[H][C:3]([C@@:2]([C:1]([H:83])([H:84])[H:85])([C:5]1:[C:6]([H:69]):[C:7]([H:70]):[C:8]([H:71]):[C:9]([C:10]2([C:11]3:[C:12]([H:72]):[C:13]([H:73]):[C:14]([H:74]):[C:15]([H:75]):[C:16]:3[H:76])[O:17][C:18]([H:77])([H:78])[C:19]([H:79])([H:80])[O:20]2):[C:21]:1[H:81])[H:82])([O:4][H])[H:67].[N:22]([C:23](=[O:24])[C:25]1:[C:26]([H:86]):[C:27]([H:87]):[C:28]([H:88]):[N+:29]([C@:30]2([H:89])[O:31][C@@:32]([C:33]([O:34][P:35](=[O:36])([O:37][H:90])[O:38][P:39](=[O:40])([O:41][H:91])[O:42][C:43]([C@@:44]3([H:92])[O:45][C@:46]([N:47]4:[C:48]([H:93]):[N:49]:[C:50]5:[C:51]([N:52]([H:94])[H:95]):[N:53]:[C:54]([H:96]):[N:55]:[C:56]:4:5)([H:97])[C@@:57]([O:58][H:98])([H:99])[C@@:59]3([O:60][H:100])[H:101])([H:102])[H:103])([H:104])[H:105])([H:106])[C@:61]([O:62][H:107])([H:108])[C@:63]2([O:64][H:109])[H:110]):[C:65]:1[H:111])([H:112])[H:113]>>[C:1]([C:2]([C:3](=[O:4])[H:67])([C:5]1:[C:6]([H:69]):[C:7]([H:70]):[C:8]([H:71]):[C:9]([C:10]2([C:11]3:[C:12]([H:72]):[C:13]([H:73]):[C:14]([H:74]):[C:15]([H:75]):[C:16]:3[H:76])[O:17][C:18]([H:77])([H:78])[C:19]([H:79])([H:80])[O:20]2):[C:21]:1[H:81])[H:82])([H:83])([H:84])[H:85].[HH].[H][C:26]1([H:86])[C:25]([C:23]([N:22]([H:112])[H:113])=[O:24])=[C:65]([H:111])[N:29]([C@:30]2([H:89])[O:31][C@@:32]([C:33]([O:34][P:35](=[O:36])([O:37][H:90])[O:38][P:39](=[O:40])([O:41][H:91])[O:42][C:43]([C@@:44]3([H:92])[O:45][C@:46]([N:47]4:[C:48]([H:93]):[N:49]:[C:50]5:[C:51]([N:52]([H:94])[H:95]):[N:53]:[C:54]([H:96]):[N:55]:[C:56]:4:5)([H:97])[C@@:57]([O:58][H:98])([H:99])[C@@:59]3([O:60][H:100])[H:101])([H:102])[H:103])([H:104])[H:105])([H:106])[C@:61]([O:62][H:107])([H:108])[C@:63]2([O:64][H:109])[H:110])[C:28]([H:88])=[C:27]1[H:87]