HRID113701

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6318

4-Chlorobenzoic acid

C7H5ClO2

结构：CS(=O)(=O)N(CCCN)Cc1cccc(-c2ccnc(NCCc3ccc(O)cc3)n2)c1

HCID59341031

未命名化合物

PRODUCTS

生成物

结构：CS(=O)(=O)N(CCCNC(=O)c1ccc(Cl)cc1)Cc1cccc(-c2ccnc(NCCc3ccc(O)cc3)n2)c1

HCID58603661

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-68d36ba9f06a4403a41b1acc3f055f8d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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