HRID2317123

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2733264

4-Chloro-2-(trifluoromethyl)phenyl isocyanate

C8H3ClF3NO

结构：COc1cc2ncnc(Nc3nc4ccc(N)cc4s3)c2cc1OC

HCID86248039

未命名化合物

PRODUCTS

生成物

结构：COc1cc2ncnc(Nc3nc4ccc(NC(=O)Nc5ccc(Cl)cc5C(F)(F)F)cc4s3)c2cc1OC

HCID23132501

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2a54ddbd83884de3aa69966c3e38b542
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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