HRID1137077

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID3157461

1-Ethyl-3,5-dimethyl-1H-pyrazole-4-carbaldehyde

C8H12N2O

结构：CC(C)Oc1ccc(CCC2(C3CCCC3)CC(=O)CC(=O)O2)cc1Cl

HCID16728739

未命名化合物

PRODUCTS

生成物

结构：CCn1nc(C)c(CC2=C(O)CC(CCc3ccc(OC(C)C)c(Cl)c3)(C3CCCC3)OC2=O)c1C

HCID58764039

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9099f4d4243e4ffc990fe6571842709a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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