HRID282704

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID8028

Tetrahydrofuran

C4H8O

HCID9321

Hydrazine

H4N2

结构：Cn1nccc1-c1cc(C(=O)NC(Cc2ccccc2C(F)(F)F)CN2C(=O)c3ccccc3C2=O)oc1Cl

HCID76576337

未命名化合物

PRODUCTS

生成物

结构：Cn1nccc1-c1cc(C(=O)NC(CN)Cc2ccccc2C(F)(F)F)oc1Cl

HCID76576343

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1c7bca3c85204722baeb02b0e24a3ab4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH3:47][OH:48].[Cl:1][c:2]1[c:3](-[c:34]2[cH:35][cH:36][n:37][n:38]2[CH3:39])[cH:4][c:5]([C:7](=[O:8])[NH:9][CH:10]([CH2:11][N:12]2[C:13](=[O:14])[c:15]3[c:16]([cH:17][cH:18][cH:19][cH:20]3)[C:21]2=[O:22])[CH2:23][c:24]2[c:25]([C:30]([F:31])([F:32])[F:33])[cH:26][cH:27][cH:28][cH:29]2)[o:6]1.[NH2:40][NH2:41].[O:42]1[CH2:43][CH2:44][CH2:45][CH2:46]1>>[Cl:1][c:2]1[c:3](-[c:34]2[cH:35][cH:36][n:37][n:38]2[CH3:39])[cH:4][c:5]([C:7](=[O:8])[NH:9][CH:10]([CH2:11][NH2:12])[CH2:23][c:24]2[c:25]([C:30]([F:31])([F:32])[F:33])[cH:26][cH:27][cH:28][cH:29]2)[o:6]1