HRID2315062

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID84189

Ethoxyacetyl chloride

C4H7ClO2

结构：COc1ccc(CN(Cc2ccc(OC)cc2)c2nc(C)c(C)c(NCc3cc(-c4ccc(F)cc4)no3)c2N)cc1

HCID69453189

未命名化合物

PRODUCTS

生成物

结构：CCOCC(=O)Nc1c(N(Cc2ccc(OC)cc2)Cc2ccc(OC)cc2)nc(C)c(C)c1NCc1cc(-c2ccc(F)cc2)no1

HCID67041304

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8fd73f096af4421ab0b6f38e56f882c5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH2:1]([CH3:2])[O:3][CH2:4][C:5](=[O:6])[Cl:7].[CH3:50][CH2:51][N:52]([CH2:53][CH3:54])[CH2:55][CH3:56].[Cl:57][CH2:58][Cl:59].[F:8][c:9]1[cH:10][cH:11][c:12](-[c:15]2[n:16][o:17][c:18]([CH2:20][NH:21][c:22]3[c:23]([NH2:49])[c:24]([N:30]([CH2:31][c:32]4[cH:33][cH:34][c:35]([O:38][CH3:39])[cH:36][cH:37]4)[CH2:40][c:41]4[cH:42][cH:43][c:44]([O:47][CH3:48])[cH:45][cH:46]4)[n:25][c:26]([CH3:29])[c:27]3[CH3:28])[cH:19]2)[cH:13][cH:14]1>>[CH2:1]([CH3:2])[O:3][CH2:4][C:5](=[O:6])[NH:49][c:23]1[c:22]([NH:21][CH2:20][c:18]2[o:17][n:16][c:15](-[c:12]3[cH:11][cH:10][c:9]([F:8])[cH:14][cH:13]3)[cH:19]2)[c:27]([CH3:28])[c:26]([CH3:29])[n:25][c:24]1[N:30]([CH2:31][c:32]1[cH:33][cH:34][c:35]([O:38][CH3:39])[cH:36][cH:37]1)[CH2:40][c:41]1[cH:42][cH:43][c:44]([O:47][CH3:48])[cH:45][cH:46]1