4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole → N-(2-hydroxypropyl)-5-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]pyridine-3-carboxamide

반응식

[CH3:30][C:31]1([CH3:32])[C:33]([CH3:34])([CH3:35])[O:36][B:37]([c:38]2[c:39]3[cH:40][n:41][nH:42][c:43]3[cH:44][cH:45][cH:46]2)[O:47]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](-[c:11]1[cH:12][c:13]([C:17](=[O:18])[NH:19][CH2:20][CH:21]([CH3:22])[OH:23])[cH:14][n:15][cH:16]1)[s:10]2>>[c:2]1(-[c:38]2[c:39]3[cH:40][n:41][nH:42][c:43]3[cH:44][cH:45][cH:46]2)[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](-[c:11]1[cH:12][c:13]([C:17](=[O:18])[NH:19][CH2:20][CH:21]([CH3:22])[OH:23])[cH:14][n:15][cH:16]1)[s:10]2

참가 물질

반응물 2

HCID 454801864-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole

HCID 873025945-(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)-N-(2-hydroxypropyl)pyridine-3-carboxamide

생성물 1

HCID 67188840N-(2-hydroxypropyl)-5-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]pyridine-3-carboxamide

출처 및 근거

ORD 기록: ord-4216f81c9a064089ac65e96c19ac9e76
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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