HRID2138735

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID1049

Pyridine

C5H5N

HCID6848

1-Naphthalenamine, N,N-dimethyl-

C12H13N

HCID24648

Sulfuryl chloride

Cl2O2S

HCID297897

5-(Hydroxy(oxido)amino)-2,1,3-benzothiadiazole

C6H3N3O2S

HCID314313

2,1,3-benzothiadiazol-5-amine

C6H5N3S

PRODUCTS

生成物

结构：CN(C)c1cccc2c(S(=O)(=O)Nc3ccc4nsnc4c3)cccc12

HCID9864880

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-427e0a5033b44130b04cc804f8526c8e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH3:48][OH:49].[CH3:6][N:7]([c:8]1[c:9]2[cH:10][cH:11][cH:12][cH:13][c:14]2[cH:15][cH:16][cH:17]1)[CH3:18].[ClH:41].[N+:29]([c:30]1[cH:31][cH:32][c:33]2[n:34][s:35][n:36][c:37]2[cH:38]1)([O-:39])=[O:40].[NH2:19][c:20]1[cH:21][c:22]2[c:23]([n:24][s:25][n:26]2)[cH:27][cH:28]1.[S:1](=[O:2])(=[O:3])([Cl:4])[Cl:5].[cH:42]1[cH:43][cH:44][n:45][cH:46][cH:47]1>>[S:1](=[O:2])(=[O:3])([c:13]1[cH:12][cH:11][cH:10][c:9]2[c:8]([N:7]([CH3:6])[CH3:18])[cH:17][cH:16][cH:15][c:14]21)[NH:19][c:20]1[cH:21][c:22]2[c:23]([n:24][s:25][n:26]2)[cH:27][cH:28]1