HRID1207418

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID318533

5-methyl-2-phenyloxazole-4-carboxylic acid

C11H9NO3

HCID58551881

未命名化合物

PRODUCTS

生成物

结构：Cc1oc(-c2ccccc2)nc1C(=O)Nc1ccccc1-c1nc2cc(CN3CCOCC3)cnc2s1

HCID46245209

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5dc0f001d3814a8a81431c20764329e7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH3:24][c:25]1[c:26]([C:36](=[O:37])[OH:38])[n:27][c:28](-[c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[o:29]1.[CH3:40][OH:41].[O:1]1[CH2:2][CH2:3][N:4]([CH2:7][c:8]2[cH:9][c:10]3[c:11]([n:12][cH:13]2)[s:14][c:15](-[c:17]2[c:18]([NH2:19])[cH:20][cH:21][cH:22][cH:23]2)[n:16]3)[CH2:5][CH2:6]1.[OH2:39]>>[O:1]1[CH2:2][CH2:3][N:4]([CH2:7][c:8]2[cH:9][c:10]3[c:11]([n:12][cH:13]2)[s:14][c:15](-[c:17]2[c:18]([NH:19][C:36]([c:26]4[c:25]([CH3:24])[o:29][c:28](-[c:30]5[cH:31][cH:32][cH:33][cH:34][cH:35]5)[n:27]4)=[O:37])[cH:20][cH:21][cH:22][cH:23]2)[n:16]3)[CH2:5][CH2:6]1