HRID203157

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2776128

1-(4-chlorophenyl)-5-methyl-1H-pyrazole-4-carbonyl chloride

C11H8Cl2N2O

结构：Nc1ccc(N2CCC(N3CCOCC3)CC2)c(C(F)(F)F)c1

HCID22227917

未命名化合物

PRODUCTS

生成物

结构：Cc1c(C(=O)Nc2ccc(N3CCC(N4CCOCC4)CC3)c(C(F)(F)F)c2)cnn1-c1ccc(Cl)cc1

HCID22227989

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-096f646d2bfc43b88132d06f651d62dd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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