HRID668766

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6276

1-Pentanol

C5H12O

HCID1818144

2-chloro-6,7-dimethoxyquinazoline

C10H9ClN2O2

HCID10636207

未命名化合物

PRODUCTS

生成物

结构：COc1cc2cnc(N3CCC(Nc4ccc(C(=O)OC(C)(C)C)cc4)CC3)nc2cc1OC

HCID9825699

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-49160196c1af4c39b8d7e8d6598da701
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

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].[CH2:36]([OH:37])[CH2:38][CH2:39][CH2:40][CH3:41].[Cl:21][c:22]1[n:23][c:24]2[cH:25][c:26]([O:34][CH3:35])[c:27]([O:32][CH3:33])[cH:28][c:29]2[cH:30][n:31]1>>[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:22]3[n:23][c:24]4[cH:25][c:26]([O:34][CH3:35])[c:27]([O:32][CH3:33])[cH:28][c:29]4[cH:30][n:31]3)[CH2:18][CH2:19]2)[cH:11][cH:12]1)=[O:20]