HRID2314952

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

HCID58551888

未命名化合物

PRODUCTS

生成物

结构：Cc1oc(-c2ccccc2)nc1C(=O)Nc1ccccc1-c1nc2cc(CN3CCCC3)cnc2s1

HCID46244962

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f2c141002ce9456faba0b4515a0c01f5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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