Isopropanol → 1-[N-benzyl-2-(3-carbamoyl-4-hydroxyphenoxy)-ethylamino]-3-[4-[1-methyl-4-(trifluoromethyl)-imidazol-2-yl]-phenoxy]-2-propanol

HRID 174905Notes

Reaction equation

HRID 174905 reaction equation
[CH2:22]([c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1)[NH:29][CH2:30][CH2:31][O:32][c:33]1[cH:34][cH:35][c:36]([OH:42])[c:37]([C:38](=[O:39])[NH2:40])[cH:41]1.[CH:43]([OH:44])([CH3:45])[CH3:46].[O:1]1[CH:2]([CH2:3][O:4][c:5]2[cH:6][cH:7][c:8](-[c:11]3[n:12]([CH3:20])[cH:13][c:14]([C:16]([F:17])([F:18])[F:19])[n:15]3)[cH:9][cH:10]2)[CH2:21]1>>[OH:1][CH:2]([CH2:3][O:4][c:5]1[cH:6][cH:7][c:8](-[c:11]2[n:12]([CH3:20])[cH:13][c:14]([C:16]([F:17])([F:18])[F:19])[n:15]2)[cH:9][cH:10]1)[CH2:21][N:29]([CH2:22][c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1)[CH2:30][CH2:31][O:32][c:33]1[cH:34][cH:35][c:36]([OH:42])[c:37]([C:38](=[O:39])[NH2:40])[cH:41]1

Participants

4

Reactant 3

HCID 3776IsopropanolHCID 137544195-[2-(Benzylamino)-ethoxy]-salicylamideHCID 202550772-[4-(2,3-Epoxypropoxy)-phenyl]-1-methyl-4-(trifluoromethyl)-imidazole

Product 1

HCID 202551191-[N-benzyl-2-(3-carbamoyl-4-hydroxyphenoxy)-ethylamino]-3-[4-[1-methyl-4-(trifluoromethyl)-imidazol-2-yl]-phenoxy]-2-propanol

Sources & evidence

ORD record
ord-4ecf4cdda6d44f02a25716cabdc35e6c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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