HRID187264

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

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

HCID5029

Rabeprazole

C18H21N3O3S

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID24648

Sulfuryl chloride

Cl2O2S

HCID5360545

Sodium

结构：Cc1ccc(S(=O)(=O)CCOC(=O)c2cccc(S(=O)(=O)Cl)c2)cc1

HCID22479368

2-(4-Methylbenzene-1-sulfonyl)ethyl 3-(chlorosulfonyl)benzoate

C16H15ClO6S2

PRODUCTS

生成物

结构：COCCCOc1ccnc(CS(=O)c2nc3ccccc3n2S(=O)(=O)c2cccc(C(=O)OCCS(=O)(=O)c3ccc(C)cc3)c2)c1C

HCID20786440

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-582bfccc512941709bdd5453234e03d4
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

[CH3:2][O:3][CH2:4][CH2:5][CH2:6][O:7][c:8]1[c:9]([CH3:26])[c:10]([CH2:14][S:15](=[O:16])[c:17]2[n:18][c:19]3[c:20]([nH:21]2)[cH:22][cH:23][cH:24][cH:25]3)[n:11][cH:12][cH:13]1.[CH3:66][CH2:67][N:68]([CH2:69][CH3:70])[CH2:71][CH3:72].[Cl:62][CH2:63][Cl:64].[Na+:31].[Na:1].[O-:27][C:28]([OH:29])=[O:30].[OH2:65].[S:32]([Cl:33])([Cl:34])(=[O:35])=[O:36].[c:37]1([CH3:61])[cH:38][cH:39][c:40]([S:43](=[O:44])(=[O:45])[CH2:46][CH2:47][O:48][C:49]([c:50]2[cH:51][c:52]([S:56](=[O:57])(=[O:58])[Cl:59])[cH:53][cH:54][cH:55]2)=[O:60])[cH:41][cH:42]1>>[CH3:2][O:3][CH2:4][CH2:5][CH2:6][O:7][c:8]1[c:9]([CH3:26])[c:10]([CH2:14][S:15](=[O:16])[c:17]2[n:18][c:19]3[c:20]([n:21]2[S:56]([c:52]2[cH:51][c:50]([C:49]([O:48][CH2:47][CH2:46][S:43]([c:40]4[cH:39][cH:38][c:37]([CH3:61])[cH:42][cH:41]4)(=[O:44])=[O:45])=[O:60])[cH:55][cH:54][cH:53]2)(=[O:57])=[O:58])[cH:22][cH:23][cH:24][cH:25]3)[n:11][cH:12][cH:13]1