HRID285111

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6342

Acetonitrile

C2H3N

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID141317

2-(Benzoylamino)cyclohexanecarboxylic acid

C14H17NO3

HCID68576569

未命名化合物

PRODUCTS

生成物

结构：CC12CCN(C(=O)C3CCCCC3NC(=O)c3ccccc3)C1c1ccccc1NC2c1ccsc1

HCID178421476

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fdce8c9d90c74c6a90753785924a16b4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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