HRID106039

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID7375

3-(Trifluoromethyl)aniline

C7H6F3N

HCID16682925

Aluminum, trimethyl-

C3H9Al

结构：COC(=O)c1cc2nc(Nc3c(C)ccnc3Cl)[nH]c2c2c1OC(C)(C)C2

HCID178496984

未命名化合物

PRODUCTS

生成物

结构：Cc1ccnc(Cl)c1Nc1nc2cc(C(=O)Nc3cccc(C(F)(F)F)c3)c3c(c2[nH]1)CC(C)(C)O3

HCID178428514

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0bbd15165a3c40c5b5daace9cc6f1b75
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

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