1,4-Diethyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-8-ylamine → 2-[5-Chloro-2-(1,4-diethyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-8-ylamino)-pyrimidin-4-ylamino]-3-fluoro-N-methyl-benzamide

반응식

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

참가 물질

반응물 2

HCID 672642811,4-Diethyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-8-ylamine

HCID 717421912-(2,5-Dichloropyrimidin-4-ylamino)-3-fluoro-N-methyl-benzamide

생성물 1

HCID 668305892-[5-Chloro-2-(1,4-diethyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-8-ylamino)-pyrimidin-4-ylamino]-3-fluoro-N-methyl-benzamide

출처 및 근거

ORD 기록: ord-50fc997bd3c44eee946a1f5c91ee993b
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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