HRID153131

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

结构：CCS(=O)(=O)N1CCC(c2c[nH]c3c(C(N)=O)cc(Br)cc23)CC1

HCID11384427

未命名化合物

HCID57415710

1-Cyclopropyl-N-{[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl]methyl}methanamine

C16H25BN2O2

PRODUCTS

生成物

结构：CCS(=O)(=O)N1CCC(c2c[nH]c3c(C(N)=O)cc(-c4cncc(CNCC5CC5)c4)cc23)CC1

HCID57732760

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bc0bd635ecdc4c7d9436ead0345e1da7
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

[Br:22][c:23]1[cH:24][c:25]2[c:26]([CH:35]3[CH2:36][CH2:37][N:38]([S:41](=[O:42])(=[O:43])[CH2:44][CH3:45])[CH2:39][CH2:40]3)[cH:27][nH:28][c:29]2[c:30]([C:32](=[O:33])[NH2:34])[cH:31]1.[C:52](=[O:53])([O-:54])[O-:55].[CH:1]1([CH2:4][NH:5][CH2:6][c:7]2[cH:8][n:9][cH:10][c:11]([B:13]3[O:14][C:15]([CH3:16])([CH3:17])[C:18]([CH3:19])([CH3:20])[O:21]3)[cH:12]2)[CH2:2][CH2:3]1.[K+:56].[K+:57].[O:46]1[CH2:47][CH2:48][O:49][CH2:50][CH2:51]1.[OH2:58]>>[CH:1]1([CH2:4][NH:5][CH2:6][c:7]2[cH:8][n:9][cH:10][c:11](-[c:23]3[cH:24][c:25]4[c:26]([CH:35]5[CH2:36][CH2:37][N:38]([S:41](=[O:42])(=[O:43])[CH2:44][CH3:45])[CH2:39][CH2:40]5)[cH:27][nH:28][c:29]4[c:30]([C:32](=[O:33])[NH2:34])[cH:31]3)[cH:12]2)[CH2:2][CH2:3]1