HRID122910

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID59473728

未命名化合物

HCID59473756

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1c(CNc2ccc3ccn(CC(=O)OC(C)(C)C)c3c2)n(C)c2cccc(Cl)c12

HCID68427131

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0e6de240e23f40709f1d17ead4c5ac0c
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

[Br:1][CH2:2][c:3]1[n:4]([CH3:17])[c:5]2[cH:6][cH:7][cH:8][c:9]([Cl:16])[c:10]2[c:11]1[C:12](=[O:13])[O:14][CH3:15].[CH3:36][CH2:37][N:38]([CH2:39][CH3:40])[CH2:41][CH3:42].[CH3:49][CH2:50][O:51][C:52](=[O:53])[CH3:54].[NH2:18][c:19]1[cH:20][cH:21][c:22]2[cH:23][cH:24][n:25]([CH2:28][C:29](=[O:30])[O:31][C:32]([CH3:33])([CH3:34])[CH3:35])[c:26]2[cH:27]1.[cH:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1>>[CH2:2]([c:3]1[n:4]([CH3:17])[c:5]2[cH:6][cH:7][cH:8][c:9]([Cl:16])[c:10]2[c:11]1[C:12](=[O:13])[O:14][CH3:15])[NH:18][c:19]1[cH:20][cH:21][c:22]2[cH:23][cH:24][n:25]([CH2:28][C:29](=[O:30])[O:31][C:32]([CH3:33])([CH3:34])[CH3:35])[c:26]2[cH:27]1