Toluene → HCID 67528557, 화합물

반응식

[CH3:29][O:30][C:31]([c:32]1[cH:33][c:34]([SH:38])[cH:35][cH:36][cH:37]1)=[O:39].[CH3:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1.[Cl:1][c:2]1[c:3](-[n:9]2[n:10][cH:11][c:12]([CH:26]([CH3:27])[CH3:28])[c:13]2[CH2:14][O:15][c:16]2[cH:17][c:18]([CH3:25])[c:19]([CH:22]([CH3:23])[OH:24])[cH:20][cH:21]2)[c:4]([Cl:8])[cH:5][cH:6][cH:7]1>>[Cl:1][c:2]1[c:3](-[n:9]2[n:10][cH:11][c:12]([CH:26]([CH3:27])[CH3:28])[c:13]2[CH2:14][O:15][c:16]2[cH:17][c:18]([CH3:25])[c:19]([CH:22]([CH3:23])[S:38][c:34]3[cH:33][c:32]([C:31]([O:30][CH3:29])=[O:39])[cH:37][cH:36][cH:35]3)[cH:20][cH:21]2)[c:4]([Cl:8])[cH:5][cH:6][cH:7]1

참가 물질

반응물 3

HCID 1140Toluene

HCID 4362804Methyl 3-mercaptobenzoate

HCID 675280881-{4-[2-(2,6-Dichloro-phenyl)-4-isopropyl-2H-pyrazol-3-ylmethoxy]-2-methyl-phenyl}-ethanol

생성물 1

HCID 67528557HCID 67528557, 화합물

출처 및 근거

ORD 기록: ord-57b040d2ab1548a3b96d195958a76d81
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

반응 노트

불러오는 중…