HRID696437

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID16682925

Aluminum, trimethyl-

C3H9Al

结构：CCOc1cc(C(C)(C)C)ccc1C1=NC(C)(c2ccc(Cl)cc2)C(C)(c2ccc(Cl)cc2)N1

HCID53628801

未命名化合物

HCID58894221

未命名化合物

PRODUCTS

生成物

结构：CCOc1cc(Br)ccc1C1=NC(C)(c2ccc(Cl)cc2)C(C)(c2ccc(Cl)cc2)N1

HCID68683683

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e6c6bec44dc44eac9c5db74f9a6f4f6d
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

[CH2:39]([O:40][C:41](=[O:42])[c:43]1[cH:44][cH:45][c:46]([Br:49])[cH:47][c:48]1[O:50][CH2:51][CH3:52])[CH3:53].[CH3:35][Al:36]([CH3:37])[CH3:38].[CH3:54][CH2:55][O:56][C:57](=[O:58])[CH3:59].[CH3:60][c:61]1[cH:62][cH:63][cH:64][cH:65][cH:66]1.[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8]2([CH3:34])[N:9]=[C:10]([c:21]3[c:22]([O:31][CH2:32][CH3:33])[cH:23][c:24]([C:27]([CH3:28])([CH3:29])[CH3:30])[cH:25][cH:26]3)[NH:11][C:12]2([CH3:13])[c:14]2[cH:15][cH:16][c:17]([Cl:20])[cH:18][cH:19]2)[cH:6][cH:7]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8]2([CH3:34])[N:9]=[C:10]([c:21]3[c:22]([O:31][CH2:32][CH3:33])[cH:23][c:24]([Br:49])[cH:25][cH:26]3)[NH:11][C:12]2([CH3:13])[c:14]2[cH:15][cH:16][c:17]([Cl:20])[cH:18][cH:19]2)[cH:6][cH:7]1