HRID1208225

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID813

Potassium cation

K+

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID4574913

未命名化合物

结构：N#Cc1ccc(-c2cc(CBr)cc(C(F)(F)F)c2)cc1

HCID58993490

未命名化合物

HCID58993619

tert-Butyl 4-(hydroxymethyl)-4-(pyridin-4-yl)piperidine-1-carboxylate

C16H24N2O3

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(COCc2cc(-c3ccc(C#N)cc3)cc(C(F)(F)F)c2)(c2ccncc2)CC1

HCID58993558

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e0b968872b984d16bf87d722269ad766
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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