HRID1220014

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID81531

Diisopropylethylamine

C8H19N

结构：O=C(O)C1CNCCN1C(=O)N(c1ccccc1)c1cccc(Br)c1

HCID18965163

未命名化合物

HCID22106956

Dipentylcarbamyl chloride

C11H22ClNO

PRODUCTS

生成物

结构：CCCCCN(CCCCC)C(=O)N1CCN(C(=O)N(c2ccccc2)c2cccc(Br)c2)C(C(=O)O)C1

HCID18965189

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9904406cbcf243f08c75ade9725d3fd5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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