HRID191788

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID7377

Benzenesulfonamide, 3-amino-

C6H8N2O2S

结构：Cc1cn(-c2cc(C(=O)Nc3ccc(C)c(NC(=O)n4ccc5c(Cl)ncnc54)c3)cc(C(F)(F)F)c2)cn1

HCID59673978

未命名化合物

PRODUCTS

生成物

结构：Cc1cn(-c2cc(C(=O)Nc3ccc(C)c(NC(=O)n4ccc5c(Nc6cccc(S(N)(=O)=O)c6)ncnc54)c3)cc(C(F)(F)F)c2)cn1

HCID11787295

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e46e9ca2f0494f9489deae7b98300024
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

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