HRID159387

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID19660

Carbonate

CO3-2

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

结构：COc1cnc2c(Sc3ccc(Nc4nnc(Cl)c5ccccc45)cc3)ccnc2c1

HCID86628664

未命名化合物

PRODUCTS

生成物

结构：COc1cnc2c(Sc3ccc(Nc4nnc(C5=CCN(C(=O)OC(C)(C)C)CC5)c5ccccc45)cc3)ccnc2c1

HCID67317430

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8a0a70912f544a86af1cddd5b634204b
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

[CH2:60]1[O:61][CH2:62][CH2:63][O:64][CH2:65]1.[CH3:32][C:33]1([CH3:34])[C:35]([CH3:36])([CH3:37])[O:38][B:39]([C:40]2=[CH:41][CH2:42][N:43]([C:46](=[O:47])[O:48][C:49]([CH3:50])([CH3:51])[CH3:52])[CH2:44][CH2:45]2)[O:53]1.[Cl:1][c:2]1[n:3][n:4][c:5]([NH:12][c:13]2[cH:14][cH:15][c:16]([S:19][c:20]3[cH:21][cH:22][n:23][c:24]4[cH:25][c:26]([O:30][CH3:31])[cH:27][n:28][c:29]34)[cH:17][cH:18]2)[c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]12.[Na+:54].[Na+:55].[O-:56][C:57](=[O:58])[O-:59]>>[c:2]1([C:40]2=[CH:41][CH2:42][N:43]([C:46](=[O:47])[O:48][C:49]([CH3:50])([CH3:51])[CH3:52])[CH2:44][CH2:45]2)[n:3][n:4][c:5]([NH:12][c:13]2[cH:14][cH:15][c:16]([S:19][c:20]3[cH:21][cH:22][n:23][c:24]4[cH:25][c:26]([O:30][CH3:31])[cH:27][n:28][c:29]34)[cH:17][cH:18]2)[c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]12