HRID291550

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID242085

1-Piperidinecarbonyl chloride

C6H10ClNO

结构：FC(F)(F)c1cc(COC2CCNCC2c2ccccc2)cc(C(F)(F)F)c1

HCID11632772

未命名化合物

PRODUCTS

生成物

结构：O=C(N1CCCCC1)N1CCC(OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(c2ccccc2)C1

HCID87677325

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d28850936f0f4a7ea4e48c7f1a88e7ae
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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