5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo(2,3-b)pyridine → 4-(4-morpholino-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)thieno[3,2-d]pyrimidin-6-yl)thiazol-2-amine

반응식

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

참가 물질

반응물 2

HCID 242087895-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo(2,3-b)pyridine

HCID 595929714-(2-Chloro-4-morpholinothieno[3,2-d]pyrimidin-6-yl)thiazol-2-amine

생성물 1

HCID 249689434-(4-morpholino-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)thieno[3,2-d]pyrimidin-6-yl)thiazol-2-amine

출처 및 근거

ORD 기록: ord-d35469e5b008473ca97c62a3bae5bb54
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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