HRID192155

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID82385

Benzoic acid, 4-(chlorosulfonyl)-

C7H5ClO4S

HCID24730368

未命名化合物

PRODUCTS

生成物

结构：CC(C)c1ccc(-c2csc(N(Cc3cccs3)S(=O)(=O)c3ccc(C(=O)O)cc3)n2)cc1

HCID59520266

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2d6ecbcea1544c83959b86f87b8ce388
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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