HRID152740

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID8028

Tetrahydrofuran

C4H8O

HCID27099

Copper(2+)

Cu+2

HCID81531

Diisopropylethylamine

C8H19N

HCID2734663

3-quinolineboronic acid

C9H8BNO2

结构：CC(C)(C1CCNCC1)S(=O)(=O)c1cccc(C(F)(F)F)c1

HCID59447409

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C1CCN(c2cnc3ccccc3c2)CC1)S(=O)(=O)c1cccc(C(F)(F)F)c1

HCID59447198

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ffe22508d4ca4e93853606055a2b2087
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

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