HRID2321488

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID12719848

1-[4-(Trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane

C12H12F3N

结构：COC(CCn1cc(-c2cccnc2F)c(=O)[nH]c1=O)OC

HCID58994168

未命名化合物

PRODUCTS

生成物

结构：O=c1[nH]c(=O)n(CCCN2CC3CC3(c3ccc(C(F)(F)F)cc3)C2)cc1-c1cccnc1F

HCID178518745

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e748e83e235a410b8455ccabfcf1550d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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