Methanol → Almokalant

반응식

[CH2:1]([CH3:2])[N:3]([CH2:4][CH:5]([CH2:6][O:7][c:8]1[cH:9][cH:10][c:11]([C:12]#[N:13])[cH:14][cH:15]1)[OH:16])[CH2:17][CH2:18][CH2:19][S:20][CH2:21][CH2:22][CH3:23].[CH3:35][OH:36].[Cl:24][c:25]1[cH:26][cH:27][cH:28][c:29]([C:30]([O:31][OH:33])=[O:32])[cH:34]1>>[CH2:1]([CH3:2])[N:3]([CH2:4][CH:5]([CH2:6][O:7][c:8]1[cH:9][cH:10][c:11]([C:12]#[N:13])[cH:14][cH:15]1)[OH:16])[CH2:17][CH2:18][CH2:19][S:20]([CH2:21][CH2:22][CH3:23])=[O:32]

참가 물질

반응물 3

HCID 887Methanol

HCID 70297m-Chloroperbenzoic acid

HCID 150668434-(3-{Ethyl[3-(propylsulfanyl)propyl]amino}-2-hydroxypropoxy)benzonitrile

생성물 1

HCID 3033962Almokalant

출처 및 근거

ORD 기록: ord-0d916358009a42059318b0cc73a2eea7
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

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