HRID144376

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID6422

未命名化合物

HCID8471

Triethylamine

C6H15N

HCID4405994

2-[(tert-Butoxycarbonyl)amino]cyclohexane-1-carboxylic acid

C12H21NO4

结构：CC(C)(C)OC(=O)N1CCCC2C(c3ccccc3)Nc3ccccc3C21

HCID178451731

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC1CCCCC1C(=O)N1CCCC2C(c3ccccc3)Nc3ccccc3C21

HCID178452699

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-131ef1e65cb24f86b71df4172af6304b
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:37]([CH3:38])([CH3:39])([CH3:40])[O:41][C:42](=[O:43])[NH:44][CH:45]1[CH:46]([C:51](=[O:52])[OH:53])[CH2:47][CH2:48][CH2:49][CH2:50]1.[CH3:54][CH2:55][N:56]([CH2:57][CH3:58])[CH2:59][CH3:60].[F:1][C:2]([F:3])([F:4])[C:5]([OH:6])=[O:7].[Na+:36].[OH-:35].[OH2:61].[c:8]1([CH:14]2[CH:15]3[CH2:16][CH2:17][CH2:18][N:19]([C:28]([O:29][C:30]([CH3:31])([CH3:32])[CH3:33])=[O:34])[CH:20]3[c:21]3[c:22]([cH:24][cH:25][cH:26][cH:27]3)[NH:23]2)[cH:9][cH:10][cH:11][cH:12][cH:13]1>>[c:8]1([CH:14]2[CH:15]3[CH2:16][CH2:17][CH2:18][N:19]([C:51]([CH:46]4[CH:45]([NH:44][C:42]([O:41][C:37]([CH3:38])([CH3:39])[CH3:40])=[O:43])[CH2:50][CH2:49][CH2:48][CH2:47]4)=[O:52])[CH:20]3[c:21]3[c:22]([cH:24][cH:25][cH:26][cH:27]3)[NH:23]2)[cH:9][cH:10][cH:11][cH:12][cH:13]1