2-Aminopyrimidine-5-boronic acid, pinacol ester → 5-(4-morpholino-6-((4-N-methylsulfonylpiperazin-1-yl)methyl)thieno[3,2-d]pyrimidin-2-yl)pyrimidin-2-amine

반응식

[CH3:28][C:29]1([CH3:30])[C:31]([CH3:32])([CH3:33])[O:34][B:35]([c:36]2[cH:37][n:38][c:39]([NH2:42])[n:40][cH:41]2)[O:43]1.[Cl:1][c:2]1[n:3][c:4]([N:22]2[CH2:23][CH2:24][O:25][CH2:26][CH2:27]2)[c:5]2[c:6]([n:7]1)[cH:8][c:9]([CH2:11][N:12]1[CH2:13][CH2:14][N:15]([S:18](=[O:19])(=[O:20])[CH3:21])[CH2:16][CH2:17]1)[s:10]2>>[c:2]1(-[c:36]2[cH:37][n:38][c:39]([NH2:42])[n:40][cH:41]2)[n:3][c:4]([N:22]2[CH2:23][CH2:24][O:25][CH2:26][CH2:27]2)[c:5]2[c:6]([n:7]1)[cH:8][c:9]([CH2:11][N:12]1[CH2:13][CH2:14][N:15]([S:18](=[O:19])(=[O:20])[CH3:21])[CH2:16][CH2:17]1)[s:10]2

참가 물질

반응물 2

HCID 177502122-Aminopyrimidine-5-boronic acid, pinacol ester

HCID 236508374-(2-Chloro-6-((4-(methylsulfonyl)piperazin-1-yl)methyl)thieno[3,2-d]pyrimidin-4-yl)morpholine

생성물 1

HCID 461806045-(4-morpholino-6-((4-N-methylsulfonylpiperazin-1-yl)methyl)thieno[3,2-d]pyrimidin-2-yl)pyrimidin-2-amine

출처 및 근거

ORD 기록: ord-bf338a9ad7114a6e8a3ae23d97148186
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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