HRID692169

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID136349

alpha,alpha,alpha,6-Tetrafluoro-m-toluidine

C7H5F4N

HCID16682925

Aluminum, trimethyl-

C3H9Al

结构：COC(=O)c1cc2nc(NCc3ccccc3Cl)[nH]c2c2c1OC(C)(C)C2

HCID178497000

未命名化合物

PRODUCTS

生成物

结构：CC1(C)Cc2c(c(C(=O)Nc3cc(C(F)(F)F)ccc3F)cc3nc(NCc4ccccc4Cl)[nH]c23)O1

HCID178422788

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-681a5bd63b574775a03f1c97725afeba
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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