HRID118091

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

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

HCID11714598

(4-(N,N-Dimethylamino)phenyl)di-tert-butyl phosphine

C16H28NP

结构：COC(=O)c1nc(Br)cnc1N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

HCID86660188

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1nc(C2=CCN(C(=O)OC(C)(C)C)CC2)cnc1N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

HCID66745644

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fb0793e1123d44df9b921ecc7e782cf4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:23]([P:24]([C:25]([CH3:26])([CH3:27])[CH3:28])[c:29]1[cH:30][cH:31][c:32]([N:33]([CH3:34])[CH3:35])[cH:36][cH:37]1)([CH3:38])([CH3:39])[CH3:40].[C:41]([CH3:42])([CH3:43])([CH3:44])[O:45][C:46](=[O:47])[N:48]([c:49]1[c:50]([C:56](=[O:57])[O:58][CH3:59])[n:51][c:52]([Br:55])[cH:53][n:54]1)[C:60](=[O:61])[O:62][C:63]([CH3:64])([CH3:65])[CH3:66].[C:67](=[O:68])([O-:69])[O-:70].[CH3:1][C:2]1([CH3:3])[C:4]([CH3:5])([CH3:6])[O:7][B:8]([C:9]2=[CH:14][CH2:13][N:12]([C:15](=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[CH3:21])[CH2:11][CH2:10]2)[O:22]1.[CH3:73][c:74]1[cH:75][cH:76][cH:77][cH:78][cH:79]1.[CH3:81][CH2:82][O:83][C:84](=[O:85])[CH3:86].[Cl:87][Pd:88][Cl:89].[Na+:71].[Na+:72].[OH2:80]>>[C:9]1([c:52]2[n:51][c:50]([C:56](=[O:57])[O:58][CH3:59])[c:49]([N:48]([C:46]([O:45][C:41]([CH3:42])([CH3:43])[CH3:44])=[O:47])[C:60](=[O:61])[O:62][C:63]([CH3:64])([CH3:65])[CH3:66])[n:54][cH:53]2)=[CH:14][CH2:13][N:12]([C:15](=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[CH3:21])[CH2:11][CH2:10]1