Acetic Acid → HCID 86746805, compound

HRID 2344804Notes

Reaction equation

[CH2:1]([CH3:2])[CH:3]1[C:4](=[O:57])[CH:5]=[CH:6][CH:7]([CH3:56])[CH:8]([C:42](=[CH:43][CH:44]2[CH2:45][CH:46]([O:53][CH3:54])[CH:47]([N:50]=[N+:51]=[N-:52])[CH2:48][CH2:49]2)[CH3:55])[O:9][C:10](=[O:41])[CH:11]2[CH2:12][CH2:13][CH2:14][CH2:15][N:16]2[C:17](=[O:40])[C:18](=[O:39])[C:19]2([OH:38])[CH:20]([CH3:37])[CH2:21][CH:22]([O:35][CH3:36])[CH:23]([CH:24]([O:32][CH3:33])[CH2:25][CH:26]([CH3:31])[CH2:27][C:28]([CH3:30])=[CH:29]1)[O:34]2.[CH2:62]([SnH:63]([CH2:64][CH2:65][CH2:66][CH3:67])[CH2:68][CH2:69][CH2:70][CH3:71])[CH2:72][CH2:73][CH3:74].[CH3:58][C:59](=[O:60])[OH:61].[CH3:75][c:76]1[cH:77][cH:78][cH:79][cH:80][cH:81]1>>[CH2:1]([CH3:2])[CH:3]1[C:4](=[O:57])[CH2:5][CH2:6][CH:7]([CH3:56])[CH:8]([C:42](=[CH:43][CH:44]2[CH2:45][CH:46]([O:53][CH3:54])[CH:47]([N:50]=[N+:51]=[N-:52])[CH2:48][CH2:49]2)[CH3:55])[O:9][C:10](=[O:41])[CH:11]2[CH2:12][CH2:13][CH2:14][CH2:15][N:16]2[C:17](=[O:40])[C:18](=[O:39])[C:19]2([OH:38])[CH:20]([CH3:37])[CH2:21][CH:22]([O:35][CH3:36])[CH:23]([CH:24]([O:32][CH3:33])[CH2:25][CH:26]([CH3:31])[CH2:27][C:28]([CH3:30])=[CH:29]1)[O:34]2

Participants

Reactant 4

HCID 176Acetic Acid

HCID 1140Toluene

HCID 5948Tributylstannane

HCID 86746803HCID 86746803, compound

Product 1

HCID 86746805HCID 86746805, compound

Sources & evidence

ORD record: ord-ba967528ac164f548286361904946f03
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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