HRID290165

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11245061

4-chloro-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazoline

C17H23ClN4O2

结构：Nc1nc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2s1

HCID23132502

未命名化合物

PRODUCTS

生成物

结构：COc1cc2c(Nc3nc4ccc(NC(=O)Nc5ccc(Cl)c(C(F)(F)F)c5)cc4s3)ncnc2cc1OCCCN1CCN(C)CC1

HCID11614569

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0a64510997f843349bfc9a257c45c2ea
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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