HRID110053

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC(C)(C)c1c(C(=O)NC2C3CC4CC(C3)CC2C4)cnn1-c1ccc(Cl)c(C(F)(F)F)c1

HCID59516137

未命名化合物

结构：CCOC(=O)c1ccc(-n2ncc(C(=O)NC3C4CC5CC(C4)CC3C5)c2C(C)(C)C)c(C)c1

HCID59516141

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1ccc(-n2ncc(C(=O)NC3C4CC5CC(C4)CC3C5)c2C(C)(C)C)cc1C(F)(F)F

HCID59516069

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-df07febecbb04a6aab1e015a11c287ec
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH:1]12[CH:2]([NH:11][C:12](=[O:13])[c:14]3[cH:15][n:16][n:17](-[c:23]4[cH:24][c:25]([C:30]([F:31])([F:32])[F:33])[c:26]([Cl:29])[cH:27][cH:28]4)[c:18]3[C:19]([CH3:20])([CH3:21])[CH3:22])[CH:3]3[CH2:4][CH:5]([CH2:6][CH:7]([CH2:8]1)[CH2:9]3)[CH2:10]2.[CH:34]12[CH2:35][CH:36]3[CH2:37][CH:38]([CH2:39][CH:40]([CH2:41]3)[CH:42]1[NH:43][C:44]([c:45]1[cH:46][n:47][n:48](-[c:49]3[cH:50][cH:51][c:52]([C:60](=[O:61])[O:62][CH2:63][CH3:64])[cH:53][c:54]3[CH3:55])[c:56]1[C:57]([CH3:58])([CH3:59])[CH3:65])=[O:66])[CH2:67]2>>[CH:1]12[CH:2]([NH:11][C:12](=[O:13])[c:14]3[cH:15][n:16][n:17](-[c:23]4[cH:24][c:25]([C:30]([F:31])([F:32])[F:33])[c:26]([C:60](=[O:61])[O:62][CH2:63][CH3:64])[cH:27][cH:28]4)[c:18]3[C:19]([CH3:20])([CH3:21])[CH3:22])[CH:3]3[CH2:4][CH:5]([CH2:6][CH:7]([CH2:8]1)[CH2:9]3)[CH2:10]2