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EVODEX.1-P1119

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][C@:2]([C:1]([H:80])([H:81])[H:82])([N:3]([C@@:4]([C:5]([C:6]([C:7]([C:8]([N:9]([H:65])[H:66])([H:67])[H:68])([H:69])[H:70])([H:71])[H:72])([H:73])[H:74])([C:10](=[O:11])[O:12][H:75])[H:76])[H:77])[C:13](=[O:14])[O:15][H:78]>>O=[C:2]([C:1]([H:80])([H:81])[H:82])[C:13](=[O:14])[O:15][H:78].[H][N:3]([C@@:4]([C:5]([C:6]([C:7]([C:8]([N:9]([H:65])[H:66])([H:67])[H:68])([H:69])[H:70])([H:71])[H:72])([H:73])[H:74])([C:10](=[O:11])[O:12][H:75])[H:76])[H:77]

Derived Operators

EVODEX.1-F10 - Elemental Balance

O1

EVODEX.1-M6 - Mass Difference

15.9949

EVODEX.1-E425 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:50]-[#7:51](-[#6@@:52](-[#6:53])(-[#6:58]=[#8:59])-[H])-[H:100]>>[#6:52](-[#6:53])(-[#6:58]=[#8:59])=[#8].[#6:50]-[#7:51](-[H:100])-[H]

EVODEX.1-C18 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6:1]-[#7:2]>>[#8]=[#6:1].[H]-[#7:2]

EVODEX.1-N227 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6@:52](-[#7:51](-[#6:50])-[H:100])(-[#6:53])-[#6:58]>>[#8]=[#6:52](-[#6:53])-[#6:58].[H]-[#7:51](-[#6:50])-[H:100]

EVODEX.1-Em333 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:52](-[#7:51]-[#6:50])(-[#6:53])-[#6:58]=[#8:59]>>[#8]=[#6:52](-[#6:53])-[#6:58]=[#8:59].[H]-[#7:51]-[#6:50]

EVODEX.1-Cm55 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#6:1]-[#7:2]>>[#8]=[#6:1].[H]-[#7:2]

EVODEX.1-Nm311 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:52](-[#7:51]-[#6:50])(-[#6:53])-[#6:58]>>[#8]=[#6:52](-[#6:53])-[#6:58].[H]-[#7:51]-[#6:50]

Source Full Reactions

EVODEX.1-R1050

Full Reaction Rendering

[H][C@:2]([C:1]([H:80])([H:81])[H:82])([N:3]([C@@:4]([C:5]([C:6]([C:7]([C:8]([N:9]([H:65])[H:66])([H:67])[H:68])([H:69])[H:70])([H:71])[H:72])([H:73])[H:74])([C:10](=[O:11])[O:12][H:75])[H:76])[H:77])[C:13](=[O:14])[O:15][H:78].[N:16]([C:17](=[O:18])[C:19]1:[C:20]([H:83]):[C:21]([H:84]):[C:22]([H:85]):[N+:23]([C@:24]2([H:86])[O:25][C@@:26]([C:27]([O:28][P:29](=[O:30])([O:31][H:87])[O:32][P:33](=[O:34])([O:35][H:88])[O:36][C:37]([C@@:38]3([H:89])[O:39][C@:40]([N:41]4:[C:42]([H:90]):[N:43]:[C:44]5:[C:45]([N:46]([H:91])[H:92]):[N:47]:[C:48]([H:93]):[N:49]:[C:50]:4:5)([H:94])[C@@:51]([O:52][P:53](=[O:54])([O:55][H:95])[O:56][H:96])([H:97])[C@@:57]3([O:58][H:98])[H:99])([H:100])[H:101])([H:102])[H:103])([H:104])[C@:59]([O:60][H:105])([H:106])[C@:61]2([O:62][H:107])[H:108]):[C:63]:1[H:109])([H:110])[H:111].[H][O:64][H]>>[C:1]([C:2]([C:13](=[O:14])[O:15][H:78])=[O:64])([H:80])([H:81])[H:82].[HH].[H][C:20]1([H:83])[C:19]([C:17]([N:16]([H:110])[H:111])=[O:18])=[C:63]([H:109])[N:23]([C@:24]2([H:86])[O:25][C@@:26]([C:27]([O:28][P:29](=[O:30])([O:31][H:87])[O:32][P:33](=[O:34])([O:35][H:88])[O:36][C:37]([C@@:38]3([H:89])[O:39][C@:40]([N:41]4:[C:42]([H:90]):[N:43]:[C:44]5:[C:45]([N:46]([H:91])[H:92]):[N:47]:[C:48]([H:93]):[N:49]:[C:50]:4:5)([H:94])[C@@:51]([O:52][P:53](=[O:54])([O:55][H:95])[O:56][H:96])([H:97])[C@@:57]3([O:58][H:98])[H:99])([H:100])[H:101])([H:102])[H:103])([H:104])[C@:59]([O:60][H:105])([H:106])[C@:61]2([O:62][H:107])[H:108])[C:22]([H:85])=[C:21]1[H:84].[H][N:3]([C@@:4]([C:5]([C:6]([C:7]([C:8]([N:9]([H:65])[H:66])([H:67])[H:68])([H:69])[H:70])([H:71])[H:72])([H:73])[H:74])([C:10](=[O:11])[O:12][H:75])[H:76])[H:77]