HRID142667

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID28561

1,2,4-Thiadiazol-5-amine, 3-phenyl-

C8H7N3S

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID747389

2-Phenylpyrimidine-5-carboxylic acid

C11H8N2O2

PRODUCTS

生成物

结构：O=C(Nc1nc(-c2ccccc2)ns1)c1cnc(-c2ccccc2)nc1

HCID59805828

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-89175754522545ed9b6dcbf1c0c4d342
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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