Acetic Acid → HCID 19085527, compound

HRID 702323Notes

Reaction equation

HRID 702323 reaction equation
[CH3:52][C:53](=[O:54])[OH:55].[CH3:56][CH2:57][OH:58].[K+:51].[OH-:50].[c:1]1([CH:7]([CH2:8][CH2:9][N:10]2[CH2:11][CH2:12][N:13]([c:16]3[c:17]([O:22][CH3:23])[cH:18][cH:19][cH:20][cH:21]3)[CH2:14][CH2:15]2)[O:24][c:25]2[cH:26][cH:27][c:28]([C:29](=[O:30])[c:31]3[cH:32][n:33]([CH2:40][CH2:41][CH2:42][C:43](=[O:44])[O:45][CH2:46][CH3:47])[c:34]4[cH:35][cH:36][cH:37][cH:38][c:39]34)[cH:48][cH:49]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([CH:7]([CH2:8][CH2:9][N:10]2[CH2:11][CH2:12][N:13]([c:16]3[c:17]([O:22][CH3:23])[cH:18][cH:19][cH:20][cH:21]3)[CH2:14][CH2:15]2)[O:24][c:25]2[cH:26][cH:27][c:28]([C:29](=[O:30])[c:31]3[cH:32][n:33]([CH2:40][CH2:41][CH2:42][C:43](=[O:44])[OH:45])[c:34]4[cH:35][cH:36][cH:37][cH:38][c:39]34)[cH:48][cH:49]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 702EthanolHCID 813Potassium CationHCID 961HydroxideHCID 19085578HCID 19085578, compound

Product 1

HCID 19085527HCID 19085527, compound

Sources & evidence

ORD record
ord-ce90b873140f41b996380b5387c4e349
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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