HRID143429

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：Cc1cc(NC(=O)OC(C)(C)C)c(N)cc1C(F)(F)F

HCID67361461

未命名化合物

结构：CC(C)(C)OC(=O)CC(=O)c1cccc(-c2ccc(C3CC3)nc2)c1

HCID69489384

1,1-Dimethylethyl 3-(6-cyclopropyl-3-pyridinyl)-β-oxobenzenepropanoate

C21H23NO3

PRODUCTS

生成物

结构：Cc1cc(NC(=O)OC(C)(C)C)c(NC(=O)CC(=O)c2cccc(-c3ccc(C4CC4)nc3)c2)cc1C(F)(F)F

HCID86589334

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8a3c286ffe804059bb6e7fc944a13335
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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