HRID88568

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID68515

Benzoyl chloride, 4-bromo-

C7H4BrClO

HCID81531

Diisopropylethylamine

C8H19N

结构：COC(=O)CC1CN(S(=O)(=O)c2ccc3cc(Cl)ccc3c2)CC(CC(=O)OC)N1

HCID22709793

未命名化合物

PRODUCTS

生成物

结构：COC(=O)CC1CN(S(=O)(=O)c2ccc3cc(Cl)ccc3c2)CC(CC(=O)OC)N1C(=O)c1ccc(Br)cc1

HCID22710472

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-81cb8014212e4e5fb37b546fe19f65f6
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

[Br:40][c:41]1[cH:42][cH:43][c:44]([C:45](=[O:46])[Cl:47])[cH:48][cH:49]1.[CH3:1][O:2][C:3](=[O:4])[CH2:5][CH:6]1[NH:7][CH:8]([CH2:26][C:27](=[O:28])[O:29][CH3:30])[CH2:9][N:10]([S:12](=[O:13])(=[O:14])[c:15]2[cH:16][c:17]3[cH:18][cH:19][c:20]([Cl:25])[cH:21][c:22]3[cH:23][cH:24]2)[CH2:11]1.[CH:31]([N:32]([CH2:33][CH3:34])[CH:35]([CH3:36])[CH3:37])([CH3:38])[CH3:39].[Cl:51][CH2:52][Cl:53].[OH2:50]>>[CH3:1][O:2][C:3](=[O:4])[CH2:5][CH:6]1[N:7]([C:45]([c:44]2[cH:43][cH:42][c:41]([Br:40])[cH:49][cH:48]2)=[O:46])[CH:8]([CH2:26][C:27](=[O:28])[O:29][CH3:30])[CH2:9][N:10]([S:12](=[O:13])(=[O:14])[c:15]2[cH:16][c:17]3[cH:18][cH:19][c:20]([Cl:25])[cH:21][c:22]3[cH:23][cH:24]2)[CH2:11]1