HRID283722

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID244

Benzyl alcohol

C7H8O

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID166653

Hydride

H-

结构：O=C1N(c2ccc(OC(F)(F)F)cc2)CCC12CCN(S(=O)(=O)c1cccnc1Cl)CC2

HCID59577960

未命名化合物

PRODUCTS

生成物

结构：O=C1N(c2ccc(OC(F)(F)F)cc2)CCC12CCN(S(=O)(=O)c1cccnc1OCc1ccccc1)CC2

HCID66787273

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-194e707909034a858c76a78fbd05d579
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

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