Isopropanol → [2-Chloromethyl-7-(3-trifluoromethyl-pyridin-2-yl)-quinazolin-4-yl]-(4-t-butyl-phenyl)-amine

반응식

[C:24]([CH3:25])([CH3:26])([CH3:27])[c:28]1[cH:29][cH:30][c:31]([NH2:32])[cH:33][cH:34]1.[CH:35]([OH:36])([CH3:37])[CH3:38].[Cl:1][c:2]1[n:3][c:4]([CH2:22][Cl:23])[n:5][c:6]2[cH:7][c:8](-[c:12]3[n:13][cH:14][cH:15][cH:16][c:17]3[C:18]([F:19])([F:20])[F:21])[cH:9][cH:10][c:11]12>>[c:2]1([NH:32][c:31]2[cH:30][cH:29][c:28]([C:24]([CH3:25])([CH3:26])[CH3:27])[cH:34][cH:33]2)[n:3][c:4]([CH2:22][Cl:23])[n:5][c:6]2[cH:7][c:8](-[c:12]3[n:13][cH:14][cH:15][cH:16][c:17]3[C:18]([F:19])([F:20])[F:21])[cH:9][cH:10][c:11]12

참가 물질

반응물 3

HCID 3776Isopropanol

HCID 698614-Tert-Butylaniline

HCID 220301504-Chloro-2-chloromethyl-7-(3-trifluoromethyl-pyridin-2-yl)-quinazoline

생성물 1

HCID 58628208[2-Chloromethyl-7-(3-trifluoromethyl-pyridin-2-yl)-quinazolin-4-yl]-(4-t-butyl-phenyl)-amine

출처 및 근거

ORD 기록: ord-049e409b84d046c699ea11a5c6a5d908
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

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