HRID701942

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID813

Potassium cation

K+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID4574913

未命名化合物

结构：CS(=O)(=O)c1ccccc1C[P+](c1ccccc1)(c1ccccc1)c1ccccc1

HCID22678328

未命名化合物

HCID22678407

未命名化合物

PRODUCTS

生成物

结构：COc1ncccc1CN1CCC(CCc2ccccc2S(C)(=O)=O)CC1

HCID22678558

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-eaf78e7f09ea4d548b28e7d130dfd81b
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

[CH3:19][S:20](=[O:21])(=[O:22])[c:23]1[c:24]([CH2:25][P+:26]([c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)([c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[cH:45][cH:46][cH:47][cH:48]1.[CH3:1][O:2][c:3]1[n:4][cH:5][cH:6][cH:7][c:8]1[CH2:9][N:10]1[CH2:11][CH2:12][CH:13]([CH:16]=[O:17])[CH2:14][CH2:15]1.[CH3:49][C:50]([CH3:51])([O-:52])[CH3:53].[CH3:56][N:57]([CH3:58])[CH:59]=[O:60].[Cl-:18].[K+:54].[OH2:55]>>[CH3:1][O:2][c:3]1[n:4][cH:5][cH:6][cH:7][c:8]1[CH2:9][N:10]1[CH2:11][CH2:12][CH:13]([CH2:16][CH2:25][c:24]2[c:23]([S:20]([CH3:19])(=[O:21])=[O:22])[cH:48][cH:47][cH:46][cH:45]2)[CH2:14][CH2:15]1