HRID1216853

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID1118

Sulfuric acid

H2O4S

结构：COc1ccc2c(c1)c(C(=O)O)nn2Cc1ccc2oc(-c3nc(C(C)(C)C)cs3)cc2c1

HCID19603815

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1nn(Cc2ccc3oc(-c4nc(C(C)(C)C)cs4)cc3c2)c2ccc(OC)cc12

HCID19603680

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e3a4bababf0f4b55883fece665dbb9f5
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

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