HRID1544900

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(N(S(=O)(=O)c1ccc(Cl)s1)S(=O)(=O)c1ccc(Cl)s1)nn2C(=O)OC(C)(C)C

HCID58054456

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-333f3819dda147d5be0e472bcff6379c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[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:15][c:16]1[s:17][c:18]([S:19]([N:20]([S:21]([c:22]2[s:23][c:24]([Cl:25])[cH:26][cH:27]2)(=[O:28])=[O:29])[c:30]2[c:31]3[c:32]([cH:33][cH:34][cH:35][c:36]3[O:37][CH3:38])[n:39]([C:40]([O:41][C:42]([CH3:43])([CH3:44])[CH3:45])=[O:46])[n:47]2)(=[O:48])=[O:49])[cH:50][cH:51]1.[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