Acetic Acid → HCID 178442316, compound

HRID 2333554Notes

Reaction equation

[CH3:56][C:57](=[O:58])[OH:59].[Cl:1][c:2]1[c:3](-[n:8]2[n:9][c:10]([CH2:51][CH2:52][CH:53]([CH3:54])[CH3:55])[n:11]([CH2:14][c:15]3[cH:16][cH:17][c:18](-[c:21]4[c:22](-[c:27]5[n:28][n:29][n:30][n:31]5[C:32]([c:33]5[cH:34][cH:35][cH:36][cH:37][cH:38]5)([c:39]5[cH:40][cH:41][cH:42][cH:43][cH:44]5)[c:45]5[cH:46][cH:47][cH:48][cH:49][cH:50]5)[cH:23][cH:24][cH:25][cH:26]4)[cH:19][cH:20]3)[c:12]2=[O:13])[cH:4][cH:5][cH:6][cH:7]1>>[Cl:1][c:2]1[c:3](-[n:8]2[n:9][c:10]([CH2:51][CH2:52][CH:53]([CH3:54])[CH3:55])[n:11]([CH2:14][c:15]3[cH:16][cH:17][c:18](-[c:21]4[c:22](-[c:27]5[n:28][n:29][n:30][nH:31]5)[cH:23][cH:24][cH:25][cH:26]4)[cH:19][cH:20]3)[c:12]2=[O:13])[cH:4][cH:5][cH:6][cH:7]1

Participants

Reactant 2

HCID 176Acetic Acid

HCID 199393772-(2-Chlorophenyl)-2,4-dihydro-5-(3-methylbutyl)-4-[[2'-(N-trityltetrazol-5-yl)biphenyl-4-yl]methyl]-3H-1,2,4-triazol-3-one

Product 1

HCID 178442316HCID 178442316, compound

Sources & evidence

ORD record: ord-5d56ad9bb51a4b839e035a669467be5d
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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