HRID691050

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID7748

Ethyl bromoacetate

C4H7BrO2

HCID8471

Triethylamine

C6H15N

结构：CC(C)Oc1ccc(-c2nc(-c3cccc4c(CCN)c[nH]c34)no2)cc1Cl

HCID59146144

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)CNCCc1c[nH]c2c(-c3noc(-c4ccc(OC(C)C)c(Cl)c4)n3)cccc12

HCID59146172

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3024c16ab30d47d6be2d9c91d38ce02b
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

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