HRID664288

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID6344

Dichloromethane

CH2Cl2

HCID53167

1-Methylpiperazine

C5H12N2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

反应SMILES：CCS(=O)(=O)c1cccc(-c2cc(C(=O)O)cc3[nH]c4ncc(C)cc4c23)c1

HCID58880186

未命名化合物

PRODUCTS

产物

反应SMILES：CCS(=O)(=O)c1cccc(-c2cc(C(=O)N3CCN(C)CC3)cc3[nH]c4ncc(C)cc4c23)c1

HCID25016995

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-549b68d59b284157ae39c53e3ada732a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应SMILES

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