HRID1565637

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID12719848

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

C12H12F3N

HCID58994178

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-c1cnccn1

HCID178518747

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2d48178b92ec48798e990fec29efc67f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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