HRID2342032

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID813

Potassium cation

K+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID81740

4-(Chloromethyl)-1,2-dimethoxy benzene

C9H11ClO2

HCID18526053

4-Methoxy-1H-indazol-3-amine

C8H9N3O

结构：COc1cccc2c1c(NS(=O)(=O)c1ccc(Cl)s1)nn2Cc1ccc(CN(C(=O)[O-])C(C)(C)C)cc1

HCID86661402

未命名化合物

PRODUCTS

生成物

HCID58054397

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-71428e950acc4668b789aaa3d7dcb4e0
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

[CH3:15][C:16]([N:17]([CH2:18][c:19]1[cH:20][cH:21][c:22]([CH2:23][n:24]2[c:25]3[c:26]([c:27]([O:28][CH3:29])[cH:30][cH:31][cH:32]3)[c:33]([NH:34][S:35]([c:36]3[s:37][c:38]([Cl:39])[cH:40][cH:41]3)(=[O:42])=[O:43])[n:44]2)[cH:45][cH:46]1)[C:47](=[O:48])[O-:49])([CH3:50])[CH3:51].[CH3:3][O:4][c:5]1[c:6]2[c:7]([NH2:14])[n:8][nH:9][c:10]2[cH:11][cH:12][cH:13]1.[CH3:64][S:65]([CH3:66])=[O:67].[Cl:52][CH2:53][c:54]1[cH:55][c:56]([O:62][CH3:63])[c:57]([O:60][CH3:61])[cH:58][cH:59]1.[K+:2].[OH-:1].[OH2:68]>>[CH3:3][O:4][c:5]1[c:6]2[c:7]([NH2:14])[n:8][n:9]([CH2:53][c:54]3[cH:55][c:56]([O:62][CH3:63])[c:57]([O:60][CH3:61])[cH:58][cH:59]3)[c:10]2[cH:11][cH:12][cH:13]1