HRID304560

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID19660

Carbonate

CO3-2

HCID24290

未命名化合物

HCID2762700

METHYL 3-BROMOISONICOTINATE

C7H6BrNO2

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

PRODUCTS

生成物

结构：COC(=O)c1ccncc1C1=CCN(C(=O)OC(C)(C)C)CC1

HCID58442815

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-abcdc27a5a934f40a3583f1ef17bf221
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

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.[C:34](=[O:35])([O-:36])[O-:37].[CH2:40]1[O:41][CH2:42][CH2:43][CH2:44]1.[CH3:23][O:24][C:25]([c:26]1[c:27]([Br:32])[cH:28][n:29][cH:30][cH:31]1)=[O:33].[CH3:46][CH2:47][O:48][C:49]([CH3:50])=[O:51].[Na+:38].[Na+:39].[OH2:45].[Pd:52]([Cl:53])[Cl:54].[c:55]1([P:56]([c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)[c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)[cH:69][cH:70][cH:71][cH:72][cH:73]1.[c:74]1([P:75]([c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)[c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)[cH:88][cH:89][cH:90][cH:91][cH:92]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:27]2[c:26]([C:25]([O:24][CH3:23])=[O:33])[cH:31][cH:30][n:29][cH:28]2)=[CH:12][CH2:13]1