Ethyl cyanoacetate → 5-(2-phenylquinolin-7-yl)-3H-thieno[2,3-d]pyrimidin-4-one

반응식

[C:46]([CH2:47][C:48]([O:49][CH2:50][CH3:51])=[O:52])#[N:53].[c:1]1(-[c:7]2[n:8][c:9]3[cH:10][c:11](-[c:17]4[cH:18][s:19][c:20]5[n:21][cH:22][n:23][c:24]([NH2:26])[c:25]45)[cH:12][cH:13][c:14]3[cH:15][cH:16]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1.[c:27]1(-[c:28]2[cH:29][cH:30][c:31]3[c:32]([cH:33][c:34]([C:35]([CH3:36])=[O:45])[cH:37][cH:38]3)[n:39]2)[cH:40][cH:41][cH:42][cH:43][cH:44]1>>[c:1]1(-[c:7]2[n:8][c:9]3[cH:10][c:11](-[c:17]4[cH:18][s:19][c:20]5[n:21][cH:22][nH:23][c:24](=[O:45])[c:25]45)[cH:12][cH:13][c:14]3[cH:15][cH:16]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

참가 물질

반응물 3

HCID 7764Ethyl cyanoacetate

HCID 160687065-(2-Phenylquinolin-7-yl)-thieno[2,3-d]pyrimidin-4-ylamine

HCID 577623961-(2-Phenylquinolin-7-yl)-ethanone

생성물 1

HCID 577623885-(2-phenylquinolin-7-yl)-3H-thieno[2,3-d]pyrimidin-4-one

출처 및 근거

ORD 기록: ord-856f4f9174474a5b97f5974fcdca13fb
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

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