HRID198714

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID81531

Diisopropylethylamine

C8H19N

HCID9533921

1-(2,2,2-trifluoroethyl)piperazine

C6H11F3N2

结构：O=C1CCC(N2C(=O)c3cccc(OCc4ccc(CBr)cc4)c3C2=O)C(=O)N1

HCID67334102

未命名化合物

PRODUCTS

生成物

结构：O=C1CCC(N2C(=O)c3cccc(OCc4ccc(CN5CCN(CC(F)(F)F)CC5)cc4)c3C2=O)C(=O)N1

HCID67335997

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dd7f5dd91b144ad9a286974617cb29a6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Br:4][CH2:5][c:6]1[cH:7][cH:8][c:9]([CH2:10][O:11][c:12]2[c:13]3[c:17]([cH:18][cH:19][cH:20]2)[C:16](=[O:21])[N:15]([CH:22]2[C:23](=[O:29])[NH:24][C:25](=[O:28])[CH2:26][CH2:27]2)[C:14]3=[O:30])[cH:31][cH:32]1.[CH2:45]([N:46]([CH:47]([CH3:48])[CH3:49])[CH:50]([CH3:51])[CH3:52])[CH3:53].[Cl:1][CH2:2][Cl:3].[ClH:33].[F:34][C:35]([CH2:36][N:37]1[CH2:38][CH2:39][NH:40][CH2:41][CH2:42]1)([F:43])[F:44].[OH2:54]>>[CH2:5]([c:6]1[cH:7][cH:8][c:9]([CH2:10][O:11][c:12]2[c:13]3[c:17]([cH:18][cH:19][cH:20]2)[C:16](=[O:21])[N:15]([CH:22]2[C:23](=[O:29])[NH:24][C:25](=[O:28])[CH2:26][CH2:27]2)[C:14]3=[O:30])[cH:31][cH:32]1)[N:40]1[CH2:39][CH2:38][N:37]([CH2:36][C:35]([F:34])([F:43])[F:44])[CH2:42][CH2:41]1