HRID200910

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID679

Dimethyl sulfoxide

C2H6OS

HCID8857

Ethyl acetate

C4H8O2

HCID67597

1-Bromo-2,4,5-trifluorobenzene

C6H2BrF3

HCID81531

Diisopropylethylamine

C8H19N

HCID58333598

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(ON=C2CCN(c3cc(F)c(Br)cc3F)CC2)CC1

HCID86655027

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-773f6587a41346ffb0c1761ba486147b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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