Ethanol → HCID 22237641, compound

HRID 1558268Notes

Reaction equation

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

Participants

Reactant 4

HCID 702Ethanol

HCID 923Sodium ion

HCID 961Hydroxide

HCID 542003754-{2-[3-Bromo-5-(8-phenyl-octylcarbamoyl)-3'-trifluoromethyl-biphenyl-2-yloxy]-ethoxy}-2-hydroxy-benzoic acid methyl ester

Product 1

HCID 22237641HCID 22237641, compound

Sources & evidence

ORD record: ord-cd4f8239e82141e6830867ba2cba201e
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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