Methanol → 4-[2-(1,1-Dimethyl-3-[1,2,4]triazol-1-yl-propylamino)-1-hydroxy-ethyl]-2-hydroxymethyl-phenol

반응식

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([CH2:29][OH:30])[cH:11][c:12]([CH:15]([CH2:16][NH:17][C:18]([CH2:19][CH2:20][n:21]2[n:22][cH:23][n:24][cH:25]2)([CH3:26])[CH3:27])[OH:28])[cH:13][cH:14]1.[CH3:31][OH:32]>>[OH:8][c:9]1[c:10]([CH2:29][OH:30])[cH:11][c:12]([CH:15]([CH2:16][NH:17][C:18]([CH2:19][CH2:20][n:21]2[n:22][cH:23][n:24][cH:25]2)([CH3:26])[CH3:27])[OH:28])[cH:13][cH:14]1

참가 물질

반응물 2

HCID 887Methanol

HCID 688781131-(4-Benzyloxy-3-hydroxymethyl-phenyl)-2-(1,1-dimethyl-3-[1,2,4]triazol-1-yl-propylamino)-ethanol

생성물 1

HCID 576025214-[2-(1,1-Dimethyl-3-[1,2,4]triazol-1-yl-propylamino)-1-hydroxy-ethyl]-2-hydroxymethyl-phenol

출처 및 근거

ORD 기록: ord-66aad82d4f4244d08256775cea1fefeb
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

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