HRID92975

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

HCID3280088

未命名化合物

HCID9947974

2-cyclopropyl-4-(4-fluorophenyl)quinoline-3-carbaldehyde

C19H14FNO

结构：CON(C)C(=O)CC1CC(CS(=O)(=O)c2nnnn2-c2ccccc2)OC(C)(C)O1

HCID76374106

未命名化合物

PRODUCTS

生成物

结构：CON(C)C(=O)CC1CC(C=Cc2c(C3CC3)nc3ccccc3c2-c2ccc(F)cc2)OC(C)(C)O1

HCID178502693

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6b9d7e3ca70547e1a88784c58d97e4bd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:63](=[O:64])([OH:65])[O-:66].[CH3:1][C:2]1([CH3:30])[O:3][CH:4]([CH2:15][S:16]([c:17]2[n:18](-[c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)[n:25][n:26][n:27]2)(=[O:28])=[O:29])[CH2:5][CH:6]([CH2:8][C:9](=[O:10])[N:11]([CH3:12])[O:13][CH3:14])[O:7]1.[CH3:53][Si:54]([N-:55][Si:56]([CH3:57])([CH3:58])[CH3:59])([CH3:60])[CH3:61].[CH:31]1([c:34]2[n:35][c:36]3[cH:37][cH:38][cH:39][cH:40][c:41]3[c:42](-[c:46]3[cH:47][cH:48][c:49]([F:52])[cH:50][cH:51]3)[c:43]2[CH:44]=[O:45])[CH2:32][CH2:33]1.[Li+:62].[Na+:67].[O:68]1[CH2:69][CH2:70][CH2:71][CH2:72]1>>[CH3:1][C:2]1([CH3:30])[O:3][CH:4]([CH:15]=[CH:44][c:43]2[c:34]([CH:31]3[CH2:32][CH2:33]3)[n:35][c:36]3[cH:37][cH:38][cH:39][cH:40][c:41]3[c:42]2-[c:46]2[cH:47][cH:48][c:49]([F:52])[cH:50][cH:51]2)[CH2:5][CH:6]([CH2:8][C:9](=[O:10])[N:11]([CH3:12])[O:13][CH3:14])[O:7]1