2-Chloropyrimidine → 6-(2-Chloro-5-fluoro-4-pyrimidinyl)-4-fluoro-2-methyl-1-(1-methylethyl)-1H-benzimidazole

반응식

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

참가 물질

반응물 2

HCID 744042-Chloropyrimidine

HCID 46220502Abemaciclib

생성물 1

HCID 783582066-(2-Chloro-5-fluoro-4-pyrimidinyl)-4-fluoro-2-methyl-1-(1-methylethyl)-1H-benzimidazole

출처 및 근거

ORD 기록: ord-93f4ffb3df894f07b14aaa697479c9e2
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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