HRID196972

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID520822

4-Trifluoromethyl-1,2-phenylenediamine

C7H7F3N2

结构：COc1cc2ncnc(Oc3ccc4c(C(=O)O)cccc4c3)c2cc1OC

HCID24823734

未命名化合物

PRODUCTS

生成物

结构：COc1cc2ncnc(Oc3ccc4c(C(=O)Nc5ccc(C(F)(F)F)cc5N)cccc4c3)c2cc1OC

HCID49821757

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-582c85aff89d4a2ebb88732e6f30202d
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][O:2][c:3]1[cH:4][c:5]2[c:6]([O:15][c:16]3[cH:17][c:18]4[cH:19][cH:20][cH:21][c:22]([C:26](=[O:27])[OH:28])[c:23]4[cH:24][cH:25]3)[n:7][cH:8][n:9][c:10]2[cH:11][c:12]1[O:13][CH3:14].[F:29][C:30]([c:31]1[cH:32][c:33]([NH2:38])[c:34]([NH2:37])[cH:35][cH:36]1)([F:39])[F:40]>>[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([O:15][c:16]3[cH:17][c:18]4[cH:19][cH:20][cH:21][c:22]([C:26](=[O:28])[NH:37][c:34]5[c:33]([NH2:38])[cH:32][c:31]([C:30]([F:29])([F:39])[F:40])[cH:36][cH:35]5)[c:23]4[cH:24][cH:25]3)[n:7][cH:8][n:9][c:10]2[cH:11][c:12]1[O:13][CH3:14]