HRID1537414

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID266781

2-Aminomethylpyrazine

C5H7N3

结构：O=C(O)c1ccc(S(=O)(=O)n2cc(-c3ccccc3)c3ccccc32)cc1

HCID58975141

未命名化合物

PRODUCTS

生成物

结构：O=C(NCc1cnccn1)c1ccc(S(=O)(=O)n2cc(-c3ccccc3)c3ccccc32)cc1

HCID58975227

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1d876619195f44cba48e55e1e040d63a
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

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