HRID135111

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID849421

R-56109

C12H13FN2O

HCID10017498

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C(=O)C(F)(F)F)ccc1OCCCN1CCC(c2noc3cc(F)ccc23)CC1

HCID10435274

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cb8fa925fc2243698aca9983de0005d6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:36][C:37]#[N:38].[Cl:17][CH2:18][CH2:19][CH2:20][O:21][c:22]1[c:23]([O:34][CH3:35])[cH:24][c:25]([C:28]([C:29]([F:30])([F:31])[F:32])=[O:33])[cH:26][cH:27]1.[F:1][c:2]1[cH:3][c:4]2[c:5]([c:6]([CH:9]3[CH2:10][CH2:11][NH:12][CH2:13][CH2:14]3)[n:7][o:8]2)[cH:15][cH:16]1.[OH2:39]>>[F:1][c:2]1[cH:3][c:4]2[c:5]([c:6]([CH:9]3[CH2:10][CH2:11][N:12]([CH2:18][CH2:19][CH2:20][O:21][c:22]4[c:23]([O:34][CH3:35])[cH:24][c:25]([C:28]([C:29]([F:30])([F:31])[F:32])=[O:33])[cH:26][cH:27]4)[CH2:13][CH2:14]3)[n:7][o:8]2)[cH:15][cH:16]1