Isopropanol → 1-[N-[2-(3-carbamoyl-4-hydroxyphenoxy)-1-methylethyl]benzylamino]-3-[4-(2-methoxyethoxy)phenoxy]-propan-2-ol

HRID 145939

Reaction equation

HRID 145939 reaction equation
[CH2:17]([c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1)[NH:24][CH:25]([CH2:26][O:27][c:28]1[cH:29][cH:30][c:31]([OH:37])[c:32]([C:33](=[O:34])[NH2:35])[cH:36]1)[CH3:38].[CH:39]([OH:40])([CH3:41])[CH3:42].[O:1]1[CH:2]([CH2:3][O:4][c:5]2[cH:6][cH:7][c:8]([O:11][CH2:12][CH2:13][O:14][CH3:15])[cH:9][cH:10]2)[CH2:16]1>>[OH:1][CH:2]([CH2:3][O:4][c:5]1[cH:6][cH:7][c:8]([O:11][CH2:12][CH2:13][O:14][CH3:15])[cH:9][cH:10]1)[CH2:16][N:24]([CH2:17][c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1)[CH:25]([CH2:26][O:27][c:28]1[cH:29][cH:30][c:31]([OH:37])[c:32]([C:33](=[O:34])[NH2:35])[cH:36]1)[CH3:38]

Participants

4

Reactant 3

HCID 3776IsopropanolHCID 126215491-(2,3-Epoxypropoxy)-4-(2-methoxyethoxy)benzeneHCID 137543345-(2-Benzylaminopropoxy)salicylamide

Product 1

HCID 137543351-[N-[2-(3-carbamoyl-4-hydroxyphenoxy)-1-methylethyl]benzylamino]-3-[4-(2-methoxyethoxy)phenoxy]-propan-2-ol

Sources & evidence

ORD record
ord-6202212a3b254cbfa179f1de2a0f52d6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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