HRID2128144

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID62324

Propanoyl chloride

C3H5ClO

HCID81531

Diisopropylethylamine

C8H19N

结构：O=c1[nH]nc(CC2CCNC2)n1-c1ccc(-c2ccc3occc3c2)cc1

HCID178518805

未命名化合物

PRODUCTS

生成物

结构：CCC(=O)N1CCC(Cc2n[nH]c(=O)n2-c2ccc(-c3ccc4occc4c3)cc2)C1

HCID67354102

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-869615774c174bbca406ee136c091f3b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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