HRID1574093

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID136200

4-(Trifluoromethyl)phenylhydrazine

C7H7F3N2

结构：O=C(O)c1cccnc1C(=O)c1cccc(C(F)(F)F)c1

HCID20078895

未命名化合物

PRODUCTS

生成物

结构：O=C(c1cccc(C(F)(F)F)c1)c1ncccc1C(O)=NNc1ccc(C(F)(F)F)cc1

HCID178519560

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-11707bd4eafd442aac7be4017559d4ea
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH3:45][OH:46].[F:1][C:2]([c:3]1[cH:4][c:5]([C:6](=[O:7])[c:8]2[c:9]([C:10](=[O:11])[OH:12])[cH:13][cH:14][cH:15][n:16]2)[cH:17][cH:18][cH:19]1)([F:20])[F:21].[F:22][C:23]([c:24]1[cH:25][cH:26][c:27]([NH:30][NH2:31])[cH:28][cH:29]1)([F:32])[F:33].[c:34]1([CH3:35])[cH:36][cH:37][c:38]([S:39]([OH:40])(=[O:41])=[O:42])[cH:43][cH:44]1>>[F:1][C:2]([c:3]1[cH:4][c:5]([C:6](=[O:7])[c:8]2[c:9]([C:10]([OH:12])=[N:31][NH:30][c:27]3[cH:26][cH:25][c:24]([C:23]([F:22])([F:32])[F:33])[cH:29][cH:28]3)[cH:13][cH:14][cH:15][n:16]2)[cH:17][cH:18][cH:19]1)([F:20])[F:21]