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EVODEX.1-P78

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([C:2](=[O:3])[O:4][C@:5]1([H:75])[C@@:6]2([H:76])[C@@:7]3([H:77])[C:8]([H:78])([H:79])[C@@:9]4([H:80])[C:10]5=[N:11][C:12]6:[C:13]([H:81]):[C:14]([H:82]):[C:15]([H:83]):[C:16]([H:84]):[C:17]:6[C@@:18]15[C:19]([H:85])([H:86])[C@:20]2([H:87])[N:21]4[C@:22]([C:23]([H:88])([H:89])[H:90])([H:91])[C@@:24]3([C:25](=[O:26])[H:92])[H:93])([H:94])([H:95])[H:96]>>[H][C:25]([C@:24]1([H:93])[C@@:7]2([H:77])[C@:6]3([H:76])[C@:5]([O:4][C:2]([C:1]([H:94])([H:95])[H:96])=[O:3])([H:75])[C@@:18]45[C:10](=[N:11][C:12]6:[C:13]([H:81]):[C:14]([H:82]):[C:15]([H:83]):[C:16]([H:84]):[C:17]:64)[C@:9]([H:80])([C:8]2([H:78])[H:79])[N:21]([C@@:20]3([H:87])[C:19]5([H:85])[H:86])[C@:22]1([C:23]([H:88])([H:89])[H:90])[H:91])([O:26][H])[H:92]

Derived Operators

EVODEX.1-F2 - Elemental Balance

H2

EVODEX.1-M3 - Mass Difference

2.01566

EVODEX.1-E3 - Reaction Operator E

Reaction Operator E SMIRKS

[#8:45]=[#6:46](-[#6:47])-[H:93]>>[#8:45](-[#6:46](-[#6:47])(-[H:93])-[H])-[H]

EVODEX.1-C1175 - Reaction Operator C

Reaction Operator C SMIRKS

([#6:25](-[#6@@:24])=[#8:26].[#6@@:6]-[#6@:20].[#6@@:9])>>([H]-[#6:25](-[#6@:24])-[#8:26]-[H].[#6@:6]-[#6@@:20].[#6@:9])

EVODEX.1-N1455 - Reaction Operator N

Reaction Operator N SMIRKS

[H:76]-[#6@:6]1(-[#6@:5])-[#6@:7]2-[#6:8]-[#6@@:9](-[H:80])(-[#6:10])-[#7:21](-[#6@:20]-1(-[#6:19])-[H:87])-[#6@:22]-[#6@@:24]-2(-[#6:25](=[#8:26])-[H:92])-[H:93]>>[H]-[#6:25](-[#6@:24]1(-[H:93])-[#6@:7]2-[#6@:6](-[H:76])(-[#6@:5])-[#6@:20](-[#7:21](-[#6@@:9](-[#6:10])(-[H:80])-[#6:8]-2)-[#6@:22]-1)(-[H:87])-[#6:19])(-[#8:26]-[H])-[H:92]

EVODEX.1-Em78 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:13]-[#6:14]=[#8:15]>>[H]-[#6:14](-[#6:13])-[#8:15]-[H]

EVODEX.1-Cm28 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#8:49]=[#6:50]>>[H]-[#8:49]-[#6:50]-[H]

EVODEX.1-Nm52 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:13]-[#6:14]=[#8:15]>>[H]-[#6:14](-[#6:13])-[#8:15]-[H]

Source Full Reactions

EVODEX.1-R105

Full Reaction Rendering

[C:1]([C:2](=[O:3])[O:4][C@:5]1([H:75])[C@@:6]2([H:76])[C@@:7]3([H:77])[C:8]([H:78])([H:79])[C@@:9]4([H:80])[C:10]5=[N:11][C:12]6:[C:13]([H:81]):[C:14]([H:82]):[C:15]([H:83]):[C:16]([H:84]):[C:17]:6[C@@:18]15[C:19]([H:85])([H:86])[C@:20]2([H:87])[N:21]4[C@:22]([C:23]([H:88])([H:89])[H:90])([H:91])[C@@:24]3([C:25](=[O:26])[H:92])[H:93])([H:94])([H:95])[H:96].[HH].[H][C:74]1([H:123])[C:30]([C:28]([N:27]([H:125])[H:126])=[O:29])=[C:31]([H:97])[N:32]([C@:33]2([H:98])[O:34][C@@:35]([C:36]([O:37][P:38](=[O:39])([O:40][H:99])[O:41][P:42](=[O:43])([O:44][H:100])[O:45][C:46]([C@@:47]3([H:101])[O:48][C@:49]([N:50]4:[C:51]([H:102]):[N:52]:[C:53]5:[C:54]([N:55]([H:103])[H:104]):[N:56]:[C:57]([H:105]):[N:58]:[C:59]:4:5)([H:106])[C@@:60]([O:61][P:62](=[O:63])([O:64][H:107])[O:65][H:108])([H:109])[C@@:66]3([O:67][H:110])[H:111])([H:112])[H:113])([H:114])[H:115])([H:116])[C@:68]([O:69][H:117])([H:118])[C@:70]2([O:71][H:119])[H:120])[C:72]([H:121])=[C:73]1[H:122]>>[H][C:25]([C@:24]1([H:93])[C@@:7]2([H:77])[C@:6]3([H:76])[C@:5]([O:4][C:2]([C:1]([H:94])([H:95])[H:96])=[O:3])([H:75])[C@@:18]45[C:10](=[N:11][C:12]6:[C:13]([H:81]):[C:14]([H:82]):[C:15]([H:83]):[C:16]([H:84]):[C:17]:64)[C@:9]([H:80])([C:8]2([H:78])[H:79])[N:21]([C@@:20]3([H:87])[C:19]5([H:85])[H:86])[C@:22]1([C:23]([H:88])([H:89])[H:90])[H:91])([O:26][H])[H:92].[N:27]([C:28](=[O:29])[C:30]1:[C:31]([H:97]):[N+:32]([C@:33]2([H:98])[O:34][C@@:35]([C:36]([O:37][P:38](=[O:39])([O:40][H:99])[O:41][P:42](=[O:43])([O:44][H:100])[O:45][C:46]([C@@:47]3([H:101])[O:48][C@:49]([N:50]4:[C:51]([H:102]):[N:52]:[C:53]5:[C:54]([N:55]([H:103])[H:104]):[N:56]:[C:57]([H:105]):[N:58]:[C:59]:4:5)([H:106])[C@@:60]([O:61][P:62](=[O:63])([O:64][H:107])[O:65][H:108])([H:109])[C@@:66]3([O:67][H:110])[H:111])([H:112])[H:113])([H:114])[H:115])([H:116])[C@:68]([O:69][H:117])([H:118])[C@:70]2([O:71][H:119])[H:120]):[C:72]([H:121]):[C:73]([H:122]):[C:74]:1[H:123])([H:125])[H:126]