HRID96025

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID7912

Diisopropylamine

C6H15N

HCID24386

Thionyl chloride

Cl2OS

HCID70357

[1,1'-Biphenyl]-2-carboxylic acid

C13H10O2

HCID22499396

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1ccc(C2CCN(Cc3ccccc3)CC2)cc1)c1ccccc1-c1ccccc1

HCID22499413

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-166cd65c6fcf4d5f907727bcde6516ff
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

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