Acetic Acid → HCID 178440147, compound

HRID 1126754Notes

Reaction equation

HRID 1126754 reaction equation
[CH3:53][C:54](=[O:55])[OH:56].[OH:1][CH:2]([CH:3]([CH3:4])[CH3:5])[c:6]1[n:7][c:8]([CH2:50][CH2:51][CH3:52])[n:9]([CH2:13][c:14]2[cH:15][cH:16][c:17](-[c:20]3[c:21](-[c:26]4[n:27][n:28][n:29][n:30]4[C:31]([c:32]4[cH:33][cH:34][cH:35][cH:36][cH:37]4)([c:38]4[cH:39][cH:40][cH:41][cH:42][cH:43]4)[c:44]4[cH:45][cH:46][cH:47][cH:48][cH:49]4)[cH:22][cH:23][cH:24][cH:25]3)[cH:18][cH:19]2)[c:10]1[C:11]#[N:12]>>[OH:1][CH:2]([CH:3]([CH3:4])[CH3:5])[c:6]1[n:7][c:8]([CH2:50][CH2:51][CH3:52])[n:9]([CH2:13][c:14]2[cH:15][cH:16][c:17](-[c:20]3[c:21](-[c:26]4[n:27][n:28][n:29][nH:30]4)[cH:22][cH:23][cH:24][cH:25]3)[cH:18][cH:19]2)[c:10]1[C:11]#[N:12]

Participants

3

Reactant 2

HCID 176Acetic AcidHCID 190361994-(1-Hydroxy-2-methylpropyl)-2-propyl-1-{4-[2-(trityltetrazol-5-yl)phenyl]phenyl}methylimidazole-5-carbonitrile

Product 1

HCID 178440147HCID 178440147, compound

Sources & evidence

ORD record
ord-bc41cd592a5d4ba69286d7dc78562518
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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