Acetic Acid → HCID 178468945, compound

HRID 212196Notes

Reaction equation

[C:59]([OH:60])([c:61]1[cH:62][cH:63][cH:64][cH:65][cH:66]1)([c:67]1[cH:68][cH:69][cH:70][cH:71][cH:72]1)[c:73]1[cH:74][cH:75][cH:76][cH:77][cH:78]1.[CH3:55][C:56](=[O:57])[OH:58].[OH2:79].[OH:1][C:2]([CH3:3])([CH3:4])[c:5]1[n:6][c:7]([CH2:52][S:53][CH3:54])[n:8]([CH2:15][c:16]2[cH:17][cH:18][c:19](-[c:22]3[c:23](-[c:28]4[n:29][n:30][n:31][n:32]4[C:33]([c:34]4[cH:35][cH:36][cH:37][cH:38][cH:39]4)([c:40]4[cH:41][cH:42][cH:43][cH:44][cH:45]4)[c:46]4[cH:47][cH:48][cH:49][cH:50][cH:51]4)[cH:24][cH:25][cH:26][cH:27]3)[cH:20][cH:21]2)[c:9]1[C:10](=[O:11])[O:12][CH2:13][CH3:14]>>[OH:1][C:2]([CH3:3])([CH3:4])[c:5]1[n:6][c:7]([CH2:52][S:53][CH3:54])[n:8]([CH2:15][c:16]2[cH:17][cH:18][c:19](-[c:22]3[c:23](-[c:28]4[n:29][n:30][n:31][nH:32]4)[cH:24][cH:25][cH:26][cH:27]3)[cH:20][cH:21]2)[c:9]1[C:10](=[O:11])[O:12][CH2:13][CH3:14]

Participants

Reactant 4

HCID 176Acetic Acid

HCID 962Water

HCID 6457Triphenylcarbinol

HCID 19036273Ethyl 4-(1-hydroxy-1-methylethyl)-2-methylthiomethyl-1-{4-[2-(trityltetrazol-5-yl)phenyl]phenyl}methylimidazole-5-carboxylate

Product 1

HCID 178468945HCID 178468945, compound

Sources & evidence

ORD record: ord-0517c58b56884b38adf126343230303d
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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