HRID2328237

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID6371

Phosgene

CCl2O

HCID31275

1,4-Dioxane

C4H8O2

HCID11529455

N-(3-amino-4-methylphenyl)-3-(trifluoromethyl)benzamide

C15H13F3N2O

HCID66669969

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)N(C)c1cc(Nc2ccc(N3CCN(C)CC3)cc2)ncn1

HCID11592548

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-84d9e0212bcd4129839c06f2f164c53d
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

[CH3:26][c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1.[CH3:33][NH:34][c:35]1[n:36][cH:37][n:38][c:39]([NH:41][c:42]2[cH:43][cH:44][c:45]([N:48]3[CH2:49][CH2:50][N:51]([CH3:54])[CH2:52][CH2:53]3)[cH:46][cH:47]2)[cH:40]1.[Cl:22][C:23]([Cl:24])=[O:25].[NH2:1][c:2]1[cH:3][c:4]([NH:9][C:10]([c:11]2[cH:12][c:13]([C:17]([F:18])([F:19])[F:20])[cH:14][cH:15][cH:16]2)=[O:21])[cH:5][cH:6][c:7]1[CH3:8].[O:55]1[CH2:56][CH2:57][O:58][CH2:59][CH2:60]1>>[NH:1]([c:2]1[cH:3][c:4]([NH:9][C:10]([c:11]2[cH:12][c:13]([C:17]([F:18])([F:19])[F:20])[cH:14][cH:15][cH:16]2)=[O:21])[cH:5][cH:6][c:7]1[CH3:8])[C:23](=[O:25])[N:34]([CH3:33])[c:35]1[n:36][cH:37][n:38][c:39]([NH:41][c:42]2[cH:43][cH:44][c:45]([N:48]3[CH2:49][CH2:50][N:51]([CH3:54])[CH2:52][CH2:53]3)[cH:46][cH:47]2)[cH:40]1