Tetrahydrofuran → N-(1-(2-(diethylamino)ethyl)-2-(4-ethoxybenzyl)-1H-benzo[d]-imidazol-5-ylcarbamothioyl)benzamide

반응식

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

참가 물질

반응물 3

HCID 8028Tetrahydrofuran

HCID 13493Etonitazene

HCID 68284Benzoyl isothiocyanate

생성물 1

HCID 16037889N-(1-(2-(diethylamino)ethyl)-2-(4-ethoxybenzyl)-1H-benzo[d]-imidazol-5-ylcarbamothioyl)benzamide

출처 및 근거

ORD 기록: ord-7a09fbce1b704919b41f9192664c216b
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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