HRID106477

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID7807

4-Bromoaniline

C6H6BrN

HCID80186

Ethyl 2-bromobenzoate

C9H9BrO2

HCID10535410

未命名化合物

HCID19975704

未命名化合物

PRODUCTS

产物

HCID19975762

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-f47ea98498d048e3a9409a59d674c227
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:31][c:32]1[cH:33][cH:34][c:35]([NH2:36])[cH:37][cH:38]1.[Br:39][c:40]1[cH:41][cH:42][cH:43][cH:44][c:45]1[C:46]([O:47][CH2:48][CH3:49])=[O:50].[CH3:51][CH2:52][OH:53].[Cl:1][c:2]1[cH:3][c:4]([CH2:11][CH3:12])[n:5][c:6]2[n:7]1[n:8][cH:9][cH:10]2.[NH2:13][c:14]1[cH:15][cH:16][c:17](-[c:20]2[c:21]([C:26](=[O:27])[O:28][CH2:29][CH3:30])[cH:22][cH:23][cH:24][cH:25]2)[cH:18][cH:19]1>>[c:2]1([NH:13][c:14]2[cH:15][cH:16][c:17](-[c:20]3[c:21]([C:26](=[O:27])[O:28][CH2:29][CH3:30])[cH:22][cH:23][cH:24][cH:25]3)[cH:18][cH:19]2)[cH:3][c:4]([CH2:11][CH3:12])[n:5][c:6]2[n:7]1[n:8][cH:9][cH:10]2