HRID170893

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID81531

Diisopropylethylamine

C8H19N

结构：O=C(O)C1CNCCN1C(=O)C(c1ccccc1)c1ccccc1

HCID18965159

未命名化合物

HCID22106956

Dipentylcarbamyl chloride

C11H22ClNO

PRODUCTS

生成物

结构：CCCCCN(CCCCC)C(=O)N1CCN(C(=O)C(c2ccccc2)c2ccccc2)C(C(=O)O)C1

HCID18965174

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-159318f3b88d475387a47bc969b5f564
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

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