HRID291183

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID75377

alpha,alpha,alpha-4-Tetrafluoro-m-toluidine

C7H5F4N

HCID81531

Diisopropylethylamine

C8H19N

结构：COc1cc2nccc(CN3CCc4c(C(=O)Cl)cccc4C3=O)c2cc1OC

HCID59756881

未命名化合物

PRODUCTS

生成物

结构：COc1cc2nccc(CN3CCc4c(C(=O)Nc5ccc(F)c(C(F)(F)F)c5)cccc4C3=O)c2cc1OC

HCID24960672

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7f8aa1f5f68f427dbfafd5f21fc8d2c3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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