HRID2322853

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

结构：Cc1c(OCC(F)(F)F)ccnc1CS(=O)c1nc2ccccc2[nH]1

HCID3883

Lansoprazole

C16H14F3N3O2S

HCID6344

Dichloromethane

CH2Cl2

HCID24648

Sulfuryl chloride

Cl2O2S

HCID166653

Hydride

H-

结构：O=C(OCCS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1cccc(S(=O)(=O)Cl)c1

HCID71376655

2-(3-Nitrobenzene-1-sulfonyl)ethyl 3-(chlorosulfonyl)benzoate

C15H12ClNO8S2

PRODUCTS

生成物

结构：Cc1c(OCC(F)(F)F)ccnc1CS(=O)c1nc2ccccc2n1S(=O)(=O)c1cccc(C(=O)OCCS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1

HCID20786372

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4692a92919dc4048af6d97d1b4abb07d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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