HRID319031

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID9709

2,4-Difluoroaniline

C6H5F2N

HCID16682925

Aluminum, trimethyl-

C3H9Al

结构：COC(=O)c1cc2nc(Nc3c(Cl)cncc3Cl)[nH]c2c2c1OC(C)(C)C2

HCID178496992

未命名化合物

PRODUCTS

生成物

结构：CC1(C)Cc2c(c(C(=O)Nc3ccc(F)cc3F)cc3nc(Nc4c(Cl)cncc4Cl)[nH]c23)O1

HCID178422777

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ca0eefde6d164f10874088bde8ef58eb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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