HRID2125823

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID6344

Dichloromethane

CH2Cl2

HCID31268

Pyrrolidine

C4H9N

结构：CCC(Br)c1ccc(C(F)(F)F)cc1CN1C(=O)OC(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1C

HCID178438274

未命名化合物

PRODUCTS

生成物

结构：CCC(c1ccc(C(F)(F)F)cc1CN1C(=O)OC(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1C)N1CCCC1

HCID178439109

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a53e5b7247154107b505b2c43b8ec1c4
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

[CH2:37]1[CH2:38][CH2:39][NH:40][CH2:41]1.[CH3:42][C:43]#[N:44].[Cl:45][CH2:46][Cl:47].[F:1][C:2]([c:3]1[cH:4][c:5]([CH:13]2[CH:14]([CH3:34])[N:15]([CH2:19][c:20]3[c:21]([CH:30]([CH2:31][CH3:32])[Br:33])[cH:22][cH:23][c:24]([C:26]([F:27])([F:28])[F:29])[cH:25]3)[C:16](=[O:18])[O:17]2)[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:35])[F:36].[OH2:48]>>[F:1][C:2]([c:3]1[cH:4][c:5]([CH:13]2[CH:14]([CH3:34])[N:15]([CH2:19][c:20]3[c:21]([CH:30]([CH2:31][CH3:32])[N:40]4[CH2:39][CH2:38][CH2:37][CH2:41]4)[cH:22][cH:23][c:24]([C:26]([F:27])([F:28])[F:29])[cH:25]3)[C:16](=[O:18])[O:17]2)[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:35])[F:36]