HRID189660

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：NC(=O)c1cc(Br)cc2c(C3CCS(=O)(=O)CC3)c[nH]c12

HCID59332757

未命名化合物

结构：CC[Si](CC)(CC)OC(C)(C)CCc1ccc(B2OC(C)(C)C(C)(C)O2)s1

HCID66746892

未命名化合物

PRODUCTS

生成物

结构：CC[Si](CC)(CC)OC(C)(C)CCc1ccc(-c2cc(C(N)=O)c3[nH]cc(C4CCS(=O)(=O)CC4)c3c2)s1

HCID59332742

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c6a0286f7e0340299ea8220cac6cc4fd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]2[c:5]([CH:14]3[CH2:15][CH2:16][S:17](=[O:20])(=[O:21])[CH2:18][CH2:19]3)[cH:6][nH:7][c:8]2[c:9]([C:11](=[O:12])[NH2:13])[cH:10]1.[C:49](=[O:50])([O-:51])[O-:52].[CH3:22][C:23]([CH2:24][CH2:25][c:26]1[s:27][c:28]([B:31]2[O:32][C:33]([CH3:34])([CH3:35])[C:36]([CH3:37])([CH3:38])[O:39]2)[cH:29][cH:30]1)([CH3:40])[O:41][Si:42]([CH2:43][CH3:44])([CH2:45][CH3:46])[CH2:47][CH3:48].[K+:53].[K+:54].[O:56]1[CH2:57][CH2:58][O:59][CH2:60][CH2:61]1.[OH2:55]>>[c:2]1(-[c:28]2[s:27][c:26]([CH2:25][CH2:24][C:23]([CH3:22])([CH3:40])[O:41][Si:42]([CH2:43][CH3:44])([CH2:45][CH3:46])[CH2:47][CH3:48])[cH:30][cH:29]2)[cH:3][c:4]2[c:5]([CH:14]3[CH2:15][CH2:16][S:17](=[O:20])(=[O:21])[CH2:18][CH2:19]3)[cH:6][nH:7][c:8]2[c:9]([C:11](=[O:12])[NH2:13])[cH:10]1