HRID112976

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：Cc1ccc(Oc2ccc(Nc3ncnc4ccc(NC(=O)CCNC(=O)OC(C)(C)C)cc34)cc2C)cn1

HCID11699363

未命名化合物

结构：NCCC(=O)Nc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1

HCID67334123

未命名化合物

PRODUCTS

生成物

结构：Nc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1

HCID53630477

4-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]quinazoline-4,6-diamine

C21H16ClFN4O

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-eef649a19d4847d1b87f31a447382a59
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:34]([O:35][C:36](=[O:37])[NH:38][CH2:39][CH2:40][C:41](=[O:42])[NH:43][c:44]1[cH:45][c:46]2[c:47]([cH:48][cH:49]1)[n:50][cH:51][n:52][c:53]2[NH:54][c:55]1[cH:56][cH:57][c:58]([O:59][c:60]2[cH:61][n:62][c:63]([CH3:64])[cH:65][cH:66]2)[c:67]([CH3:68])[cH:69]1)([CH3:70])([CH3:71])[CH3:72].[NH2:1][CH2:2][CH2:3][C:4](=[O:5])[NH:6][c:7]1[cH:8][c:9]2[c:10]([NH:17][c:18]3[cH:19][c:20]([Cl:33])[c:21]([O:24][CH2:25][c:26]4[cH:27][c:28]([F:32])[cH:29][cH:30][cH:31]4)[cH:22][cH:23]3)[n:11][cH:12][n:13][c:14]2[cH:15][cH:16]1>>[NH2:6][c:7]1[cH:8][c:9]2[c:10]([NH:17][c:18]3[cH:19][c:20]([Cl:33])[c:21]([O:24][CH2:25][c:26]4[cH:27][c:28]([F:32])[cH:29][cH:30][cH:31]4)[cH:22][cH:23]3)[n:11][cH:12][n:13][c:14]2[cH:15][cH:16]1