HRID665143

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID736335

3-Chloro-2-fluorobenzaldehyde

C7H4ClFO

反应SMILES：CC(C)(CCO[Si](C)(C)C(C)(C)C)CC(CN)C1C(=O)Nc2cc(Cl)ccc21

HCID58398996

未命名化合物

PRODUCTS

产物

反应SMILES：CC(C)(CCO[Si](C)(C)C(C)(C)C)CC1CNC(c2cccc(Cl)c2F)C12C(=O)Nc1cc(Cl)ccc12

HCID67336835

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-e331bc8377e546258cbce43c6697e4f9
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

[CH3:51][c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1.[Cl:29][c:30]1[c:31]([F:38])[c:32]([CH:33]=[O:34])[cH:35][cH:36][cH:37]1.[NH2:1][CH2:2][CH:3]([CH2:4][C:5]([CH2:6][CH2:7][O:8][Si:9]([CH3:10])([CH3:11])[C:12]([CH3:13])([CH3:14])[CH3:15])([CH3:16])[CH3:17])[CH:18]1[C:19](=[O:28])[NH:20][c:21]2[cH:22][c:23]([Cl:27])[cH:24][cH:25][c:26]21.[OH2:39].[c:40]1([CH3:41])[cH:42][cH:43][c:44]([S:45]([OH:46])(=[O:47])=[O:48])[cH:49][cH:50]1>>[NH:1]1[CH2:2][CH:3]([CH2:4][C:5]([CH2:6][CH2:7][O:8][Si:9]([CH3:10])([CH3:11])[C:12]([CH3:13])([CH3:14])[CH3:15])([CH3:16])[CH3:17])[C:18]2([C:19](=[O:28])[NH:20][c:21]3[cH:22][c:23]([Cl:27])[cH:24][cH:25][c:26]32)[CH:33]1[c:32]1[c:31]([F:38])[c:30]([Cl:29])[cH:37][cH:36][cH:35]1