HRID1547607

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID31260

Isopentyl alcohol

C5H12O

HCID90235

4-Amino-2-chloro-6,7-dimethoxyquinazoline

C10H10ClN3O2

HCID10636207

未命名化合物

PRODUCTS

生成物

结构：COc1cc2nc(N3CCC(Nc4ccc(C(=O)OC(C)(C)C)cc4)CC3)nc(N)c2cc1OC

HCID9956782

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0faf116263864c7988a7d0b008b78504
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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