HRID1138093

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID1049

Pyridine

C5H5N

HCID81184

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

C9H16N2

HCID537575

2,2,2-Trifluoro-N-(pyrrolidin-3-YL)acetamide

C6H9F3N2O

结构：CC(C)(C)n1cc(C(=O)O)c(=O)c2cc(F)c(F)cc21

HCID14839593

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)n1cc(C(=O)O)c(=O)c2cc(F)c(N3CCC(NC(=O)C(F)(F)F)C3)cc21

HCID14839599

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-44d86943d7cd4596b0bbd99748aceefa
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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