HRID2140230

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID1140

Toluene

C7H8

HCID7672

Phenyl isocyanate

C7H5NO

结构：CCOC(=O)c1c(N)sc(-c2ccc([N+](=O)[O-])cc2)c1C

HCID15541848

Ethyl 2-amino-4-methyl-5-(4-nitrophenyl)thiophene-3-carboxylate

C14H14N2O4S

PRODUCTS

生成物

结构：CCOC(=O)c1c(NC(=O)Nc2ccccc2)sc(-c2ccc([N+](=O)[O-])cc2)c1C

HCID12132337

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ab60e08c0f0b4a889a2d1efa05e23c31
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

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