HRID199404

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID1049

Pyridine

C5H5N

HCID6344

Dichloromethane

CH2Cl2

HCID24386

Thionyl chloride

Cl2OS

HCID392871

1-(tert-Butoxycarbonyl)-4-piperidinecarboxylic acid

C11H19NO4

结构：O=C(CNC1CCCN(C(=O)OCc2ccccc2)C1)c1ccc(F)c(C(F)(F)F)c1

HCID67265034

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(C(=O)N(CC(=O)c2ccc(F)c(C(F)(F)F)c2)C2CCCN(C(=O)OCc3ccccc3)C2)CC1

HCID67264999

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2599821c04774b8394ded53bd0018e56
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

[C:5]([CH3:6])([CH3:7])([CH3:8])[O:9][C:10](=[O:11])[N:12]1[CH2:13][CH2:14][CH:15]([C:18](=[O:19])[OH:20])[CH2:16][CH2:17]1.[CH2:28]([c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1)[O:35][C:36](=[O:37])[N:38]1[CH2:39][CH:40]([NH:44][CH2:45][C:46](=[O:47])[c:48]2[cH:49][c:50]([C:55]([F:56])([F:57])[F:58])[c:51]([F:54])[cH:52][cH:53]2)[CH2:41][CH2:42][CH2:43]1.[Cl:59][CH2:60][Cl:61].[ClH:27].[S:1]([Cl:2])([Cl:3])=[O:4].[cH:21]1[cH:22][cH:23][n:24][cH:25][cH:26]1>>[C:5]([CH3:6])([CH3:7])([CH3:8])[O:9][C:10](=[O:11])[N:12]1[CH2:13][CH2:14][CH:15]([C:18](=[O:20])[N:44]([CH:40]2[CH2:39][N:38]([C:36]([O:35][CH2:28][c:29]3[cH:30][cH:31][cH:32][cH:33][cH:34]3)=[O:37])[CH2:43][CH2:42][CH2:41]2)[CH2:45][C:46](=[O:47])[c:48]2[cH:49][c:50]([C:55]([F:56])([F:57])[F:58])[c:51]([F:54])[cH:52][cH:53]2)[CH2:16][CH2:17]1