HRID96424

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID260

Hydrogen Bromide

BrH

HCID6344

Dichloromethane

CH2Cl2

HCID81531

Diisopropylethylamine

C8H19N

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

HCID18965170

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(Cl)c2)C(C(=O)O)C1

HCID18965177

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b6ec6d556b784f7e959a5f7029d8a668
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

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