HRID1146838

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3283

Diethyl Ether

C4H10O

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

反应SMILES：C1=CC=CN(CCCNCc2ccc3c(c2)OCO3)C=C1

HCID18612648

未命名化合物

HCID18612664

5-Chloro-3-(3,5-difluorophenyl)-1,2-oxazole

C9H4ClF2NO

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

产物

HCID313

Hydrochloric Acid

ClH

反应SMILES：Fc1cc(F)cc(-c2cc(N(CCCN3C=CC=CC=C3)Cc3ccc4c(c3)OCO4)on2)c1

HCID18612624

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-9f074dc218c74f3e858570b653ef49cf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应SMILES

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