HRID300890

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID75377

alpha,alpha,alpha-4-Tetrafluoro-m-toluidine

C7H5F4N

HCID16682925

Aluminum, trimethyl-

C3H9Al

结构：COC(=O)c1cc2nc(Nc3c(F)cccc3Cl)[nH]c2c2nc(C)oc12

HCID178496996

未命名化合物

PRODUCTS

生成物

结构：Cc1nc2c(o1)c(C(=O)Nc1ccc(F)c(C(F)(F)F)c1)cc1nc(Nc3c(F)cccc3Cl)[nH]c12

HCID178432351

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b3e9a168359b45e0b2a290434f486e1a
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

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