HRID178154

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID392871

1-(tert-Butoxycarbonyl)-4-piperidinecarboxylic acid

C11H19NO4

结构：NCc1n[nH]c2nc(-c3ccc(F)cc3)c(-c3ccncc3)c(-c3ccc(F)cc3)c12

HCID178510688

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(C(=O)NCc2n[nH]c3nc(-c4ccc(F)cc4)c(-c4ccncc4)c(-c4ccc(F)cc4)c23)CC1

HCID178452016

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-60505ec91492480681c8af4609db884d
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

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