HRID1542131

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID8471

Triethylamine

C6H15N

HCID31275

1,4-Dioxane

C4H8O2

结构：c1ccc(-c2ccccc2P(C2CCCCC2)C2CCCCC2)cc1

HCID2734216

2-(Dicyclohexylphosphino)biphenyl

C24H31P

HCID2734768

未命名化合物

HCID58679077

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1cc2[nH]c(B3OC(C)(C)C(C)(C)O3)c(C3CCCCC3)c2s1

HCID58679063

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d3217b52a7c54a539ec63cb6457ef70e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[Br:1][c:2]1[c:3]([CH:14]2[CH2:15][CH2:16][CH2:17][CH2:18][CH2:19]2)[c:4]2[c:5]([nH:6]1)[cH:7][c:8]([C:10](=[O:11])[O:12][CH3:13])[s:9]2.[CH2:63]1[O:64][CH2:65][CH2:66][O:67][CH2:68]1.[CH3:20][CH2:21][N:22]([CH2:23][CH3:24])[CH2:25][CH3:26].[CH3:27][C:28]1([CH3:35])[O:29][BH:30][O:31][C:32]1([CH3:33])[CH3:34].[CH:36]1([P:37]([CH:38]2[CH2:39][CH2:40][CH2:41][CH2:42][CH2:43]2)[c:44]2[cH:45][cH:46][cH:47][cH:48][c:49]2-[c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)[CH2:56][CH2:57][CH2:58][CH2:59][CH2:60]1.[Cl-:61].[NH4+:62]>>[c:2]1([B:30]2[O:29][C:28]([CH3:27])([CH3:35])[C:32]([CH3:33])([CH3:34])[O:31]2)[c:3]([CH:14]2[CH2:15][CH2:16][CH2:17][CH2:18][CH2:19]2)[c:4]2[c:5]([nH:6]1)[cH:7][c:8]([C:10](=[O:11])[O:12][CH3:13])[s:9]2