HRID1570865

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID222

Ammonia gas

H3N

HCID241

Benzene

C6H6

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

HCID31275

1,4-Dioxane

C4H8O2

HCID65578

Ethanedioyl dichloride

C2Cl2O2

结构：COC(=O)c1[nH]c2cc(S(C)(=O)=O)ccc2c1Sc1ccc(F)cc1F

HCID11418074

未命名化合物

PRODUCTS

生成物

结构：CS(=O)(=O)c1ccc2c(Sc3ccc(F)cc3F)c(C(N)=O)[nH]c2c1

HCID11372471

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6dd9ec7f2115480ebea0da6c5ab4e067
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

[CH2:42]([Cl:43])[Cl:44].[CH2:57]1[O:58][CH2:59][CH2:60][CH2:61]1.[CH3:1][O:2][C:3](=[O:4])[c:5]1[nH:6][c:7]2[cH:8][c:9]([S:23](=[O:24])(=[O:25])[CH3:26])[cH:10][cH:11][c:12]2[c:13]1[S:14][c:15]1[c:16]([F:22])[cH:17][c:18]([F:21])[cH:19][cH:20]1.[Cl:29][C:30]([C:31]([Cl:32])=[O:33])=[O:34].[Li+:28].[NH3:35].[O:45]1[CH2:46][CH2:47][O:48][CH2:49][CH2:50]1.[O:51]=[CH:52][N:53]([CH3:54])[CH3:55].[OH-:27].[OH2:56].[cH:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1>>[O:2]=[C:3]([c:5]1[nH:6][c:7]2[cH:8][c:9]([S:23](=[O:24])(=[O:25])[CH3:26])[cH:10][cH:11][c:12]2[c:13]1[S:14][c:15]1[c:16]([F:22])[cH:17][c:18]([F:21])[cH:19][cH:20]1)[NH2:35]