HRID2321982

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID1118

Sulfuric acid

H2O4S

HCID1140

Toluene

C7H8

结构：CC(C)(C)c1cc(-n2nc3ccc(C(=O)O)cc3n2)c(O)c(C(C)(C)c2ccc(Cl)cc2)c1

HCID22664373

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc2nn(-c3cc(C(C)(C)C)cc(C(C)(C)c4ccc(Cl)cc4)c3O)nc2c1

HCID22595032

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-82f9d60366714a9598c6e8b54581d7fb
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

[C:1](=[O:2])([OH:3])[c:4]1[cH:5][c:6]2[c:7]([n:8][n:9](-[c:11]3[c:12]([OH:31])[c:13]([C:21]([CH3:22])([CH3:23])[c:24]4[cH:25][cH:26][c:27]([Cl:30])[cH:28][cH:29]4)[cH:14][c:15]([C:17]([CH3:18])([CH3:19])[CH3:20])[cH:16]3)[n:10]2)[cH:32][cH:33]1.[CH3:34][c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1.[CH3:41][OH:42].[S:43](=[O:44])(=[O:45])([OH:46])[OH:47]>>[C:1]([O:2][CH3:34])(=[O:3])[c:4]1[cH:5][c:6]2[c:7]([n:8][n:9](-[c:11]3[c:12]([OH:31])[c:13]([C:21]([CH3:22])([CH3:23])[c:24]4[cH:25][cH:26][c:27]([Cl:30])[cH:28][cH:29]4)[cH:14][c:15]([C:17]([CH3:18])([CH3:19])[CH3:20])[cH:16]3)[n:10]2)[cH:32][cH:33]1