Ethanol → HCID 178457033, compound

HRID 197754Notes

Reaction equation

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

Participants

Reactant 2

HCID 702Ethanol

HCID 22103828N-[1-(2-phenylethyl)-4-ethoxycarbonyl-5-bromopyrazol-3-yl]-N-[(2'-(N-triphenylmethyl-(1H-tetrazol-5-yl))biphenyl-4-yl)methyl]-n-propylamine

Product 1

HCID 178457033HCID 178457033, compound

Sources & evidence

ORD record: ord-312ba36eabd14265b19e1c175099a1c4
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

Reaction notes

Loading…