HRID688719

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID813

Potassium cation

K+

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID4574913

未命名化合物

结构：CC(C)(C)OC(=O)N1CCN(c2nc3ccccc3[nH]c2=O)CC1

HCID69366009

未命名化合物

HCID86591619

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN(c2nc3ccccc3n(CCOc3cc(F)c(F)cc3F)c2=O)CC1

HCID69366277

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a0a0a53d9e5a4043a99fa40bd45e0cc0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:7]([CH3:8])([CH3:9])([CH3:10])[O:11][C:12](=[O:13])[N:14]1[CH2:15][CH2:16][N:17]([c:20]2[n:21][c:22]3[cH:23][cH:24][cH:25][cH:26][c:27]3[nH:28][c:29]2=[O:30])[CH2:18][CH2:19]1.[CH2:52]1[O:53][CH2:54][CH2:55][CH2:56]1.[CH3:1][C:2]([CH3:3])([O-:4])[CH3:5].[CH3:31][S:32]([CH3:33])=[O:34].[CH3:35][S:36]([O:37][CH2:40][CH2:41][O:42][c:43]1[c:44]([F:51])[cH:45][c:46]([F:50])[c:47]([F:49])[cH:48]1)(=[O:38])=[O:39].[CH3:57][CH2:58][O:59][C:60]([CH3:61])=[O:62].[K+:6].[OH2:63]>>[C:7]([CH3:8])([CH3:9])([CH3:10])[O:11][C:12](=[O:13])[N:14]1[CH2:15][CH2:16][N:17]([c:20]2[n:21][c:22]3[cH:23][cH:24][cH:25][cH:26][c:27]3[n:28]([CH2:40][CH2:41][O:42][c:43]3[c:44]([F:51])[cH:45][c:46]([F:50])[c:47]([F:49])[cH:48]3)[c:29]2=[O:30])[CH2:18][CH2:19]1