HRID133970

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID2755996

4-{[tert-Butoxy(hydroxy)methylidene]amino}cyclohexane-1-carboxylic acid

C12H21NO4

结构：O=C1N(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCN1C1CNCC1c1ccc(F)cc1

HCID123567535

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC1CCC(C(=O)N2CC(c3ccc(F)cc3)C(N3CCN(c4cc(C(F)(F)F)cc(C(F)(F)F)c4)C3=O)C2)CC1

HCID178452751

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d364ffa7df0344d384972383cc06af9c
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:34]([CH3:35])([CH3:36])([CH3:37])[O:38][C:39](=[O:40])[NH:41][CH:42]1[CH2:43][CH2:44][CH:45]([C:48](=[O:49])[OH:50])[CH2:46][CH2:47]1.[ClH:1].[F:2][C:3]([c:4]1[cH:5][c:6]([N:14]2[C:15](=[O:31])[N:16]([CH:19]3[CH2:20][NH:21][CH2:22][CH:23]3[c:24]3[cH:25][cH:26][c:27]([F:30])[cH:28][cH:29]3)[CH2:17][CH2:18]2)[cH:7][c:8]([C:10]([F:11])([F:12])[F:13])[cH:9]1)([F:32])[F:33]>>[F:2][C:3]([c:4]1[cH:5][c:6]([N:14]2[C:15](=[O:31])[N:16]([CH:19]3[CH2:20][N:21]([C:48]([CH:45]4[CH2:44][CH2:43][CH:42]([NH:41][C:39]([O:38][C:34]([CH3:35])([CH3:36])[CH3:37])=[O:40])[CH2:47][CH2:46]4)=[O:49])[CH2:22][CH:23]3[c:24]3[cH:25][cH:26][c:27]([F:30])[cH:28][cH:29]3)[CH2:17][CH2:18]2)[cH:7][c:8]([C:10]([F:11])([F:12])[F:13])[cH:9]1)([F:32])[F:33]