HRID161593

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID7504

Benzylamine

C7H9N

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID81531

Diisopropylethylamine

C8H19N

反应SMILES：O=C(O)c1ccc(Br)c(CN(Cc2ccccc2)C(=O)C2CC2)c1

HCID58565108

未命名化合物

PRODUCTS

产物

反应SMILES：O=C(NCc1ccccc1)c1ccc(Br)c(CN(Cc2ccccc2)C(=O)C2CC2)c1

HCID67212258

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-67ad89c9617f45e7b1f35a6730dc1232
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应SMILES

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]([C:9](=[O:10])[CH:11]1[CH2:12][CH2:13]1)[CH2:14][c:15]1[cH:16][c:17]([C:18](=[O:19])[OH:20])[cH:21][cH:22][c:23]1[Br:24].[CH3:52][N:53]1[CH2:54][CH2:55][CH2:56][C:57]1=[O:58].[CH:31]([N:32]([CH:33]([CH3:34])[CH3:35])[CH2:36][CH3:37])([CH3:38])[CH3:39].[Cl:25][C:26]([C:27]([Cl:28])=[O:29])=[O:30].[Cl:48][CH2:49][Cl:50].[NH2:40][CH2:41][c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1.[O:59]=[CH:60][N:61]([CH3:62])[CH3:63].[OH2:51]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]([C:9](=[O:10])[CH:11]1[CH2:12][CH2:13]1)[CH2:14][c:15]1[cH:16][c:17]([C:18](=[O:20])[NH:40][CH2:41][c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[cH:21][cH:22][c:23]1[Br:24]