Isopropanol → Almokalant

반응식

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

참가 물질

반응물 3

HCID 3776Isopropanol

HCID 27643014-(2-Oxiranylmethoxy)benzenecarbonitrile

HCID 15066866N-ethyl-3-propylsulfinylpropan-1-amine

생성물 1

HCID 3033962Almokalant

출처 및 근거

ORD 기록: ord-67966530fc8247caa1f64a2ba68a363d
출처 데이터셋: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D

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