HRID2134624

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID28557

18-Crown-6

C12H24O6

HCID118424

6-Chloropyridine-2-carbonitrile

C6H3ClN2

HCID166653

Hydride

H-

HCID2776149

(5-Methyl-3-phenyl-1,2-oxazol-4-yl)methanol

C11H11NO2

PRODUCTS

生成物

HCID68442724

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-296801c44c284a62a7bba60a6173966c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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