2-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine → N,2-dimethyl-2-(4-((2-(6-methylpyridin-3-yl)-4-morpholinothieno[3,2-d]pyrimidin-6-yl)methyl)piperazin-1-yl)propanamide

반응식

[CH3:31][c:32]1[n:33][cH:34][c:35]([B:38]2[O:39][C:40]([CH3:41])([CH3:42])[C:43]([CH3:44])([CH3:45])[O:46]2)[cH:36][cH:37]1.[Cl:1][c:2]1[n:3][c:4]([N:25]2[CH2:26][CH2:27][O:28][CH2:29][CH2:30]2)[c:5]2[c:6]([n:7]1)[cH:8][c:9]([CH2:11][N:12]1[CH2:13][CH2:14][N:15]([C:18]([C:19](=[O:20])[NH:21][CH3:22])([CH3:23])[CH3:24])[CH2:16][CH2:17]1)[s:10]2>>[c:2]1(-[c:35]2[cH:34][n:33][c:32]([CH3:31])[cH:37][cH:36]2)[n:3][c:4]([N:25]2[CH2:26][CH2:27][O:28][CH2:29][CH2:30]2)[c:5]2[c:6]([n:7]1)[cH:8][c:9]([CH2:11][N:12]1[CH2:13][CH2:14][N:15]([C:18]([C:19](=[O:20])[NH:21][CH3:22])([CH3:23])[CH3:24])[CH2:16][CH2:17]1)[s:10]2

참가 물질

반응물 2

HCID 164142722-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

HCID 574939952-[4-(2-chloro-4-morpholin-4-yl-thieno[3,2-d]pyrimidin-6-ylmethyl)-piperazin-1-yl]-N-methyl-isobutyramide

생성물 1

HCID 58234078N,2-dimethyl-2-(4-((2-(6-methylpyridin-3-yl)-4-morpholinothieno[3,2-d]pyrimidin-6-yl)methyl)piperazin-1-yl)propanamide

출처 및 근거

ORD 기록: ord-adea3720655c4cb9a5cbb5760f7babd0
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

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