Water → 3-amino-4-(3,5-difluorophenyl)-1-[(1-phenyl-2-prop-2-enoxyethyl)amino]butan-2-ol

반응식

[CH2:1]([CH:2]=[CH2:3])[O:4][CH2:5][CH:6]([c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1)[NH:13][CH2:14][CH:15]([CH:16]([CH2:17][c:18]1[cH:19][c:20]([F:25])[cH:21][c:22]([F:24])[cH:23]1)[NH:26][C:27](=[O:28])[O:29][CH2:30][c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1)[OH:37].[CH3:38][O:39][CH2:40][CH2:41][O:42][CH3:43].[OH2:44]>>[CH2:1]([CH:2]=[CH2:3])[O:4][CH2:5][CH:6]([c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1)[NH:13][CH2:14][CH:15]([CH:16]([CH2:17][c:18]1[cH:19][c:20]([F:25])[cH:21][c:22]([F:24])[cH:23]1)[NH2:26])[OH:37]

참가 물질

반응물 3

HCID 962Water

HCID 80711,2-Dimethoxyethane

HCID 178459177HCID 178459177, 화합물

생성물 1

HCID 1784591783-amino-4-(3,5-difluorophenyl)-1-[(1-phenyl-2-prop-2-enoxyethyl)amino]butan-2-ol

출처 및 근거

ORD 기록: ord-ca502d315b8547278307232a0c4553f8
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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