HRID701650

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID1140

Toluene

C7H8

HCID6212

Chloroform

CHCl3

HCID2826723

azanide

H2N-

HCID16682925

Aluminum, trimethyl-

C3H9Al

HCID16685410

未命名化合物

结构：C=CCOc1cc(Br)cc(S(=O)(=O)c2cc(C(=O)OC)sc2SC)c1

HCID69586746

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：C=CCOc1cc(Br)cc(S(=O)(=O)c2cc(C(=N)N)sc2SC)c1

HCID21057102

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f2f08ed707374fcaafe86f87c07ccb37
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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