HRID107128

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6212

Chloroform

CHCl3

HCID7196

1,3-Benzodioxole-5-carboxylic acid

C8H6O4

HCID24386

Thionyl chloride

Cl2OS

HCID2734749

Piperonyloyl chloride

C8H5ClO3

HCID14425929

1-{4-[2-(Pyrrolidin-1-yl)ethoxy]phenyl}methanamine

C13H20N2O

PRODUCTS

生成物

结构：O=C(NCc1ccc(OCCN2CCCC2)cc1)c1ccc2c(c1)OCO2

HCID3078816

N-({4-[2-(Pyrrolidin-1-yl)ethoxy]phenyl}methyl)-2H-1,3-benzodioxole-5-carboximidic acid

C21H24N2O4

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cdf5ec0c9528408994da15f2e730a5e4
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

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