HRID1126555

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID1140

Toluene

C7H8

HCID13156

2-Butanone, 1-bromo-

C4H7BrO

HCID81531

Diisopropylethylamine

C8H19N

HCID458679

3-Isopropylaniline

C9H13N

HCID10655249

未命名化合物

PRODUCTS

生成物

结构：CCC(=O)CN(C(=O)Cc1cccc(Cl)c1)c1cccc(C(C)C)c1

HCID11783283

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-31ec7ee2f4a54de7a157644e660489f4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH2:20]([CH3:21])[C:22](=[O:23])[CH2:24][Br:25].[CH3:37][c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1.[CH:11]([N:12]([CH:13]([CH3:14])[CH3:15])[CH2:16][CH3:17])([CH3:18])[CH3:19].[CH:1]([CH3:2])([CH3:3])[c:4]1[cH:5][c:6]([NH2:7])[cH:8][cH:9][cH:10]1.[Cl:26][c:27]1[cH:28][c:29]([CH2:33][C:34](=[O:35])[Cl:36])[cH:30][cH:31][cH:32]1.[OH2:44].[cH:45]1[cH:46][cH:47][n:48][cH:49][cH:50]1>>[CH:1]([CH3:2])([CH3:3])[c:4]1[cH:5][c:6]([N:7]([CH2:24][C:22]([CH2:20][CH3:21])=[O:23])[C:34]([CH2:33][c:29]2[cH:28][c:27]([Cl:26])[cH:32][cH:31][cH:30]2)=[O:35])[cH:8][cH:9][cH:10]1