HRID193445

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

结构：CC(C)n1c(C=O)c(-c2ccc(F)cc2)c2ccccc21

HCID11312061

3-(4-Fluorophenyl)-1-(1-methylethyl)-1H-indole-2-carbaldehyde

C18H16FNO

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(-c3ccc(F)cc3)c3ccccc3n2C(C)C)OC(C)(C)O1

HCID169544090

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4c4c4d8567624fb6b3fe01307792b8ad
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

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