HRID202932

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID8028

Tetrahydrofuran

C4H8O

HCID12228

Methyl isocyanate

C2H3NO

结构：Cc1cnc(C(=O)c2cc(N)ccc2Cl)c(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1

HCID57942517

未命名化合物

PRODUCTS

生成物

结构：CNC(=O)Nc1ccc(Cl)c(C(=O)c2ncc(C)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1

HCID57942609

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bdb34d7fb8514eeda69cf968c771975d
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

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