HRID2130246

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID10565189

未命名化合物

HCID68817029

未命名化合物

PRODUCTS

生成物

结构：COC(=O)Cc1cccc(OCCCN(Cc2cccc(C(F)(F)F)c2Cl)CC(C)c2ccccc2)c1

HCID68816649

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b26e1a8819674601995425f8e2e5d6a5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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