HRID2131055

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID30165

Iodide ion

I-

反应SMILES：CNCCN1C(=O)C(O)C(c2ccc(OC)cc2)Sc2ccccc21

HCID162440

O-Desacetyl-N-desmethyl Diltiazem

C19H22N2O3S

HCID253130

1-(2-Chloroethyl)-3-methoxybenzene

C9H11ClO

PRODUCTS

产物

反应SMILES：COc1ccc(C2Sc3ccccc3N(CCN(C)CCc3cccc(OC)c3)C(=O)C2O)cc1

HCID14076719

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-9397b7dc7beb4245b011d183f7d03950
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

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