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EVODEX.1-P63

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][C@@:6]([C:5]([C:4](=[C:3]([C:2]([C:1]([H:101])([H:102])[H:103])([H:99])[H:100])[H:98])[H:97])([H:95])[H:96])([O:7][H])[C:8](=[C:9]([C@@:10]1([H:75])[C:11](=[O:12])[C:13]([H:76])([H:77])[C@@:14]([O:15][H:78])([H:79])[C@@:16]1([C:17]([C:18](=[C:19]([C:20]([C:21]([C:22]([C:23](=[O:24])[O:25][H:80])([H:81])[H:82])([H:83])[H:84])([H:85])[H:86])[H:87])[H:88])([H:89])[H:90])[H:91])[H:92])[H:93]>>[C:1]([C:2]([C:3](=[C:4]([C:5]([C:6](=[O:7])[C:8](=[C:9]([C@@:10]1([H:75])[C:11](=[O:12])[C:13]([H:76])([H:77])[C@@:14]([O:15][H:78])([H:79])[C@@:16]1([C:17]([C:18](=[C:19]([C:20]([C:21]([C:22]([C:23](=[O:24])[O:25][H:80])([H:81])[H:82])([H:83])[H:84])([H:85])[H:86])[H:87])[H:88])([H:89])[H:90])[H:91])[H:92])[H:93])([H:95])[H:96])[H:97])[H:98])([H:99])[H:100])([H:101])([H:102])[H:103]

Derived Operators

EVODEX.1-F4 - Elemental Balance

H-2

EVODEX.1-M5 - Mass Difference

-2.01566

EVODEX.1-C33 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N25 - Reaction Operator N

Reaction Operator N SMIRKS

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

EVODEX.1-Em162 - Reaction Operator Em

Reaction Operator Em SMIRKS

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

EVODEX.1-Cm43 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

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

EVODEX.1-Nm68 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

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

Source Full Reactions

EVODEX.1-R79

Full Reaction Rendering

[H][C@@:6]([C:5]([C:4](=[C:3]([C:2]([C:1]([H:101])([H:102])[H:103])([H:99])[H:100])[H:98])[H:97])([H:95])[H:96])([O:7][H])[C:8](=[C:9]([C@@:10]1([H:75])[C:11](=[O:12])[C:13]([H:76])([H:77])[C@@:14]([O:15][H:78])([H:79])[C@@:16]1([C:17]([C:18](=[C:19]([C:20]([C:21]([C:22]([C:23](=[O:24])[O:25][H:80])([H:81])[H:82])([H:83])[H:84])([H:85])[H:86])[H:87])[H:88])([H:89])[H:90])[H:91])[H:92])[H:93].[N:26]([C:27](=[O:28])[C:29]1:[C:30]([H:104]):[C:31]([H:105]):[C:32]([H:106]):[N+:33]([C@:34]2([H:107])[O:35][C@@:36]([C:37]([O:38][P:39](=[O:40])([O:41][H:108])[O:42][P:43](=[O:44])([O:45][H:109])[O:46][C:47]([C@@:48]3([H:110])[O:49][C@:50]([N:51]4:[C:52]([H:111]):[N:53]:[C:54]5:[C:55]([N:56]([H:112])[H:113]):[N:57]:[C:58]([H:114]):[N:59]:[C:60]:4:5)([H:115])[C@@:61]([O:62][P:63](=[O:64])([O:65][H:116])[O:66][H:117])([H:118])[C@@:67]3([O:68][H:119])[H:120])([H:121])[H:122])([H:123])[H:124])([H:125])[C@:69]([O:70][H:126])([H:127])[C@:71]2([O:72][H:128])[H:129]):[C:73]:1[H:130])([H:131])[H:132]>>[C:1]([C:2]([C:3](=[C:4]([C:5]([C:6](=[O:7])[C:8](=[C:9]([C@@:10]1([H:75])[C:11](=[O:12])[C:13]([H:76])([H:77])[C@@:14]([O:15][H:78])([H:79])[C@@:16]1([C:17]([C:18](=[C:19]([C:20]([C:21]([C:22]([C:23](=[O:24])[O:25][H:80])([H:81])[H:82])([H:83])[H:84])([H:85])[H:86])[H:87])[H:88])([H:89])[H:90])[H:91])[H:92])[H:93])([H:95])[H:96])[H:97])[H:98])([H:99])[H:100])([H:101])([H:102])[H:103].[HH].[H][C:30]1([H:104])[C:29]([C:27]([N:26]([H:131])[H:132])=[O:28])=[C:73]([H:130])[N:33]([C@:34]2([H:107])[O:35][C@@:36]([C:37]([O:38][P:39](=[O:40])([O:41][H:108])[O:42][P:43](=[O:44])([O:45][H:109])[O:46][C:47]([C@@:48]3([H:110])[O:49][C@:50]([N:51]4:[C:52]([H:111]):[N:53]:[C:54]5:[C:55]([N:56]([H:112])[H:113]):[N:57]:[C:58]([H:114]):[N:59]:[C:60]:4:5)([H:115])[C@@:61]([O:62][P:63](=[O:64])([O:65][H:116])[O:66][H:117])([H:118])[C@@:67]3([O:68][H:119])[H:120])([H:121])[H:122])([H:123])[H:124])([H:125])[C@:69]([O:70][H:126])([H:127])[C@:71]2([O:72][H:128])[H:129])[C:32]([H:106])=[C:31]1[H:105]