HRID2333188

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6422

未命名化合物

结构：CC(C)N1CCN(Cc2cc(-c3ccccc3Cl)c3c(c2)N(c2c(Cl)cccc2Cl)C(=O)NC3)CC1C(=O)OC(C)(C)C

HCID10233169

Tert-butyl 4-{[5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-2-oxo-1,2,3,4-tetrahydroquinazolin-7-yl]methyl}-1-isopropylpiperazine-2-carboxylate

C33H37Cl3N4O3

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)C1CN(Cc2cc(-c3ccccc3Cl)c3c(c2)N(c2c(Cl)cccc2Cl)C(=O)NC3)CCN1

HCID22648143

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d169d041263b42299eda1fa3735c405e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[Cl:1][c:2]1[c:3](-[c:8]2[c:9]3[c:14]([cH:15][c:16]([CH2:18][N:19]4[CH2:20][CH:21]([C:28](=[O:29])[O:30][C:31]([CH3:32])([CH3:33])[CH3:34])[N:22]([CH:25]([CH3:26])[CH3:27])[CH2:23][CH2:24]4)[cH:17]2)[N:13]([c:35]2[c:36]([Cl:42])[cH:37][cH:38][cH:39][c:40]2[Cl:41])[C:12](=[O:43])[NH:11][CH2:10]3)[cH:4][cH:5][cH:6][cH:7]1.[OH2:44].[OH:45][C:46]([C:47]([F:48])([F:49])[F:50])=[O:51]>>[Cl:1][c:2]1[c:3](-[c:8]2[c:9]3[c:14]([cH:15][c:16]([CH2:18][N:19]4[CH2:20][CH:21]([C:28](=[O:29])[O:30][C:31]([CH3:32])([CH3:33])[CH3:34])[NH:22][CH2:23][CH2:24]4)[cH:17]2)[N:13]([c:35]2[c:36]([Cl:42])[cH:37][cH:38][cH:39][c:40]2[Cl:41])[C:12](=[O:43])[NH:11][CH2:10]3)[cH:4][cH:5][cH:6][cH:7]1