HRID680389

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID8471

Triethylamine

C6H15N

HCID3268011

tert-Butyl (2-aminocyclohexyl)carbamate

C11H22N2O2

结构：CCOC(=O)c1c(CN2C(=O)c3ccccc3C2=O)nc(Cl)nc1Nc1cccc(C)c1

HCID58317687

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1c(CN2C(=O)c3ccccc3C2=O)nc(NC2CCCCC2NC(=O)OC(C)(C)C)nc1Nc1cccc(C)c1

HCID178469164

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f2f6d397390b44cfa39d0b7569d34872
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH3:48][CH2:49][N:50]([CH2:51][CH3:52])[CH2:53][CH3:54].[Cl:1][c:2]1[n:3][c:4]([NH:25][c:26]2[cH:27][c:28]([CH3:32])[cH:29][cH:30][cH:31]2)[c:5]([C:20](=[O:21])[O:22][CH2:23][CH3:24])[c:6]([CH2:8][N:9]2[C:10](=[O:19])[c:11]3[cH:12][cH:13][cH:14][cH:15][c:16]3[C:17]2=[O:18])[n:7]1.[NH2:33][CH:34]1[CH:35]([NH:40][C:41]([O:42][C:43]([CH3:44])([CH3:45])[CH3:46])=[O:47])[CH2:36][CH2:37][CH2:38][CH2:39]1.[Na+:59].[O-:55][C:56]([OH:57])=[O:58]>>[c:2]1([NH:33][CH:34]2[CH:35]([NH:40][C:41]([O:42][C:43]([CH3:44])([CH3:45])[CH3:46])=[O:47])[CH2:36][CH2:37][CH2:38][CH2:39]2)[n:3][c:4]([NH:25][c:26]2[cH:27][c:28]([CH3:32])[cH:29][cH:30][cH:31]2)[c:5]([C:20](=[O:21])[O:22][CH2:23][CH3:24])[c:6]([CH2:8][N:9]2[C:10](=[O:19])[c:11]3[cH:12][cH:13][cH:14][cH:15][c:16]3[C:17]2=[O:18])[n:7]1