HRID2318050

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID887

Methanol

CH4O

HCID961

Hydroxide

HO-

HCID6344

Dichloromethane

CH2Cl2

结构：CS(=O)(=O)N1CCN(c2nc(-c3cccc(NS(=O)(=O)c4cc(F)ccc4F)c3F)c(-c3ccnc(Cl)n3)s2)CC1

HCID57989647

未命名化合物

PRODUCTS

生成物

结构：CS(=O)(=O)N1CCN(c2nc(-c3cccc(NS(=O)(=O)c4cc(F)ccc4F)c3F)c(-c3ccnc(N)n3)s2)CC1

HCID57989758

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-03ff63e82ba4491d9ef2214cb25efa9f
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

[CH3:47][OH:48].[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6](-[c:8]2[c:9](-[c:23]3[c:24]([F:41])[c:25]([NH:29][S:30](=[O:31])(=[O:32])[c:33]4[c:34]([F:40])[cH:35][cH:36][c:37]([F:39])[cH:38]4)[cH:26][cH:27][cH:28]3)[n:10][c:11]([N:13]3[CH2:14][CH2:15][N:16]([S:19](=[O:20])(=[O:21])[CH3:22])[CH2:17][CH2:18]3)[s:12]2)[n:7]1.[Cl:44][CH2:45][Cl:46].[NH4+:43].[OH-:42]>>[c:2]1([NH2:43])[n:3][cH:4][cH:5][c:6](-[c:8]2[c:9](-[c:23]3[c:24]([F:41])[c:25]([NH:29][S:30](=[O:31])(=[O:32])[c:33]4[c:34]([F:40])[cH:35][cH:36][c:37]([F:39])[cH:38]4)[cH:26][cH:27][cH:28]3)[n:10][c:11]([N:13]3[CH2:14][CH2:15][N:16]([S:19](=[O:20])(=[O:21])[CH3:22])[CH2:17][CH2:18]3)[s:12]2)[n:7]1