HRID99312

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：COCCCOc1ccnc(CS(=O)c2nc3ccccc3[nH]2)c1C

HCID5029

Rabeprazole

C18H21N3O3S

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID3164136

Pyridine-3-sulfonyl chloride

C5H4ClNO2S

HCID5360545

Sodium

PRODUCTS

生成物

结构：COCCCOc1ccnc(CS(=O)c2nc3ccccc3n2S(=O)(=O)c2cccnc2)c1C

HCID10195930

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-07018f3e86614714b229ca93ff032da8
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

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