2,4-Dimethoxypyrimidine-5-boronic acid pinacol ester → 2-(2,4-dimethoxypyrimidin-5-yl)-4-morpholino-6-((4-N-cyclopropylsulfonylpiperazin-1-yl)methyl)thieno[3,2-d]pyrimidine

반응식

[CH3:30][O:31][c:32]1[n:33][cH:34][c:35]([B:40]2[O:41][C:42]([CH3:43])([CH3:44])[C:45]([CH3:46])([CH3:47])[O:48]2)[c:36]([O:38][CH3:39])[n:37]1.[Cl:1][c:2]1[n:3][c:4]([N:24]2[CH2:25][CH2:26][O:27][CH2:28][CH2:29]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])[CH:21]3[CH2:22][CH2:23]3)[CH2:16][CH2:17]1)[s:10]2>>[c:2]1(-[c:35]2[cH:34][n:33][c:32]([O:31][CH3:30])[n:37][c:36]2[O:38][CH3:39])[n:3][c:4]([N:24]2[CH2:25][CH2:26][O:27][CH2:28][CH2:29]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])[CH:21]3[CH2:22][CH2:23]3)[CH2:16][CH2:17]1)[s:10]2

참가 물질

반응물 2

HCID 162183882,4-Dimethoxypyrimidine-5-boronic acid pinacol ester

HCID 866192722-Chloro-6-(4-cyclopropanesulfonyl-piperazin-1-ylmethyl)-4-morpholin-4-yl-thieno[3,2-d]pyrimidine

생성물 1

HCID 582339732-(2,4-dimethoxypyrimidin-5-yl)-4-morpholino-6-((4-N-cyclopropylsulfonylpiperazin-1-yl)methyl)thieno[3,2-d]pyrimidine

출처 및 근거

ORD 기록: ord-cc0bb7d7708d4550aa06e66ab4b27e46
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

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