HRID200922

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID57358967

3-Chloro-4-(2-chloroacetamido)benzoic acid

C9H7Cl2NO3

HCID178509206

未命名化合物

PRODUCTS

生成物

结构：Nc1nnc(SCC(=O)Nc2ccc(C(=O)O)cc2Cl)n1-c1ccc(C2CC2)c2ccccc12

HCID57358966

4-(2-{[5-Amino-4-(4-cyclopropylnaphthalen-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-3-chlorobenzoic acid

C24H20ClN5O3S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9ebe452145094f73bafba7e75639cea4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Cl:21][c:22]1[cH:23][c:24]([C:25](=[O:26])[OH:27])[cH:28][cH:29][c:30]1[NH:31][C:32]([CH2:33][Cl:34])=[O:35].[NH2:1][c:2]1[n:3](-[c:8]2[cH:9][cH:10][c:11]([CH:18]3[CH2:19][CH2:20]3)[c:12]3[cH:13][cH:14][cH:15][cH:16][c:17]23)[c:4]([SH:7])[n:5][n:6]1.[O:37]=[CH:38][N:39]([CH3:40])[CH3:41].[OH2:36]>>[NH2:1][c:2]1[n:3](-[c:8]2[cH:9][cH:10][c:11]([CH:18]3[CH2:19][CH2:20]3)[c:12]3[cH:13][cH:14][cH:15][cH:16][c:17]23)[c:4]([S:7][CH2:33][C:32]([NH:31][c:30]2[c:22]([Cl:21])[cH:23][c:24]([C:25](=[O:26])[OH:27])[cH:28][cH:29]2)=[O:35])[n:5][n:6]1