HRID802985

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID81184

1,8-Diazabicyclo[5.4.0]undec-7-ene

C9H16N2

HCID136469

4-Trifluoromethylpiperidine

C6H10F3N

结构：Cc1cc(F)ccc1-c1cc(Cl)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID23502784

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(F)ccc1-c1cc(N2CCC(C(F)(F)F)CC2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID86597702

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-83ee3cb21b1b46b4a1d1f6e704a18c1d
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[ClH:37].[F:1][C:2]([c:3]1[cH:4][c:5]([C:13]([C:14](=[O:15])[N:16]([CH3:17])[c:18]2[cH:19][n:20][c:21]([Cl:32])[cH:22][c:23]2-[c:24]2[c:25]([CH3:31])[cH:26][c:27]([F:30])[cH:28][cH:29]2)([CH3:33])[CH3:34])[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:35])[F:36].[F:38][C:39]([CH:40]1[CH2:41][CH2:42][NH:43][CH2:44][CH2:45]1)([F:46])[F:47].[N:48]12[CH2:49][CH2:50][CH2:51][N:52]=[C:53]1[CH2:54][CH2:55][CH2:56][CH2:57][CH2:58]2.[OH2:59]>>[F:1][C:2]([c:3]1[cH:4][c:5]([C:13]([C:14](=[O:15])[N:16]([CH3:17])[c:18]2[cH:19][n:20][c:21]([N:43]3[CH2:42][CH2:41][CH:40]([C:39]([F:38])([F:46])[F:47])[CH2:45][CH2:44]3)[cH:22][c:23]2-[c:24]2[c:25]([CH3:31])[cH:26][c:27]([F:30])[cH:28][cH:29]2)([CH3:33])[CH3:34])[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:35])[F:36]