HRID317321

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

结构：CC1(C)OB(c2ccc(S(C)(=O)=O)cc2)OC1(C)C

HCID2759530

2-[4-(Methanesulfonyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C13H19BO4S

结构：OCC(CCC(F)(F)F)NC(c1ccc(Br)cc1)C(F)(F)F

HCID178520617

未命名化合物

PRODUCTS

生成物

结构：CS(=O)(=O)c1ccc(-c2ccc(C(NC(CO)CCC(F)(F)F)C(F)(F)F)cc2)cc1

HCID178504671

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-813bc591e0a54b5bb7a6c4daac801f33
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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