HRID679313

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID24290

未命名化合物

结构：CC(C)(C)OC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1

HCID4642098

tert-Butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydropyridine-1(2H)-carboxylate

C16H28BNO4

HCID23436966

Methyl 4-bromopyridine-3-carboxylate

C7H6BrNO2

PRODUCTS

生成物

结构：COC(=O)c1cnccc1C1=CCN(C(=O)OC(C)(C)C)CC1

HCID58442829

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3336c9e6a12d43259c0a18af6b9f1de7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][C:11]([B:14]2[O:15][C:16]([CH3:17])([CH3:18])[C:19]([CH3:20])([CH3:21])[O:22]2)=[CH:12][CH2:13]1.[CH2:39]1[O:40][CH2:41][CH2:42][CH2:43]1.[CH3:23][O:24][C:25]([c:26]1[cH:27][n:28][cH:29][cH:30][c:31]1[Br:32])=[O:33].[Na+:38].[O-:34][C:35]([OH:36])=[O:37].[OH2:44].[Pd:45]([Cl:46])[Cl:47].[c:48]1([P:49]([c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)[c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)[cH:62][cH:63][cH:64][cH:65][cH:66]1.[c:67]1([P:68]([c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)[c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)[cH:81][cH:82][cH:83][cH:84][cH:85]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][C:11]([c:31]2[c:26]([C:25]([O:24][CH3:23])=[O:33])[cH:27][n:28][cH:29][cH:30]2)=[CH:12][CH2:13]1