HRID140441

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

HCID1061

Phosphate

O4P-3

HCID31275

1,4-Dioxane

C4H8O2

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

HCID58547697

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CC=C(c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)CC1

HCID58547770

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-74a232913f95429bb53ebffd074a92aa
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH2:53]1[O:54][CH2:55][CH2:56][O:57][CH2:58]1.[CH3:23][C:24]1([CH3:25])[C:26]([CH3:27])([CH3:28])[O:29][B:30]([C:31]2=[CH:32][CH2:33][N:34]([C:37](=[O:38])[O:39][C:40]([CH3:41])([CH3:42])[CH3:43])[CH2:35][CH2:36]2)[O:44]1.[Cl:1][c:2]1[c:3]([O:8][CH:9]2[CH2:10][N:11]([c:13]3[n:14][c:15]4[cH:16][cH:17][cH:18][cH:19][c:20]4[cH:21][cH:22]3)[CH2:12]2)[n:4][cH:5][cH:6][n:7]1.[K+:50].[K+:51].[K+:52].[OH2:59].[P:45]([O-:46])([O-:47])([O-:48])=[O:49]>>[c:2]1([C:31]2=[CH:32][CH2:33][N:34]([C:37](=[O:38])[O:39][C:40]([CH3:41])([CH3:42])[CH3:43])[CH2:35][CH2:36]2)[c:3]([O:8][CH:9]2[CH2:10][N:11]([c:13]3[n:14][c:15]4[cH:16][cH:17][cH:18][cH:19][c:20]4[cH:21][cH:22]3)[CH2:12]2)[n:4][cH:5][cH:6][n:7]1