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EVODEX.1-P1107

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][C@:2]([C:1]([H:78])([H:79])[H:80])([N:3]([C@@:4]([C:5]([C:6]([C:7]([N:8]([C:9](=[N:10][H:63])[N:11]([H:64])[H:65])[H:66])([H:67])[H:68])([H:69])[H:70])([H:71])[H:72])([C:12](=[O:13])[O:14][H:73])[H:74])[H:75])[C:15](=[O:16])[O:17][H:76]>>O=[C:2]([C:1]([H:78])([H:79])[H:80])[C:15](=[O:16])[O:17][H:76].[H][N:3]([C@@:4]([C:5]([C:6]([C:7]([N:8]([C:9](=[N:10][H:63])[N:11]([H:64])[H:65])[H:66])([H:67])[H:68])([H:69])[H:70])([H:71])[H:72])([C:12](=[O:13])[O:14][H:73])[H:74])[H:75]

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-R1040

Full Reaction Rendering

[H][C@:2]([C:1]([H:78])([H:79])[H:80])([N:3]([C@@:4]([C:5]([C:6]([C:7]([N:8]([C:9](=[N:10][H:63])[N:11]([H:64])[H:65])[H:66])([H:67])[H:68])([H:69])[H:70])([H:71])[H:72])([C:12](=[O:13])[O:14][H:73])[H:74])[H:75])[C:15](=[O:16])[O:17][H:76].[N:18]([C:19](=[O:20])[C:21]1:[C:22]([H:81]):[C:23]([H:82]):[C:24]([H:83]):[N+:25]([C@:26]2([H:84])[O:27][C@@:28]([C:29]([O:30][P:31](=[O:32])([O:33][H:85])[O:34][P:35](=[O:36])([O:37][H:86])[O:38][C:39]([C@@:40]3([H:87])[O:41][C@:42]([N:43]4:[C:44]([H:88]):[N:45]:[C:46]5:[C:47]([N:48]([H:89])[H:90]):[N:49]:[C:50]([H:91]):[N:51]:[C:52]:4:5)([H:92])[C@@:53]([O:54][H:93])([H:94])[C@@:55]3([O:56][H:95])[H:96])([H:97])[H:98])([H:99])[H:100])([H:101])[C@:57]([O:58][H:102])([H:103])[C@:59]2([O:60][H:104])[H:105]):[C:61]:1[H:106])([H:107])[H:108].[H][O:62][H]>>[C:1]([C:2]([C:15](=[O:16])[O:17][H:76])=[O:62])([H:78])([H:79])[H:80].[HH].[H][C:22]1([H:81])[C:21]([C:19]([N:18]([H:107])[H:108])=[O:20])=[C:61]([H:106])[N:25]([C@:26]2([H:84])[O:27][C@@:28]([C:29]([O:30][P:31](=[O:32])([O:33][H:85])[O:34][P:35](=[O:36])([O:37][H:86])[O:38][C:39]([C@@:40]3([H:87])[O:41][C@:42]([N:43]4:[C:44]([H:88]):[N:45]:[C:46]5:[C:47]([N:48]([H:89])[H:90]):[N:49]:[C:50]([H:91]):[N:51]:[C:52]:4:5)([H:92])[C@@:53]([O:54][H:93])([H:94])[C@@:55]3([O:56][H:95])[H:96])([H:97])[H:98])([H:99])[H:100])([H:101])[C@:57]([O:58][H:102])([H:103])[C@:59]2([O:60][H:104])[H:105])[C:24]([H:83])=[C:23]1[H:82].[H][N:3]([C@@:4]([C:5]([C:6]([C:7]([N:8]([C:9](=[N:10][H:63])[N:11]([H:64])[H:65])[H:66])([H:67])[H:68])([H:69])[H:70])([H:71])[H:72])([C:12](=[O:13])[O:14][H:73])[H:74])[H:75]