HRID126527

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

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

结构：CC(C)(C)OC(=O)NC(C)(C)C(=O)NC(COCc1ccccc1)C(=O)O

HCID12967000

未命名化合物

HCID71060431

未命名化合物

PRODUCTS

生成物

结构：CN1CC(c2ccc(F)cc2)C2(CCCN(C(=O)C(COCc3ccccc3)NC(=O)C(C)(C)NC(=O)OC(C)(C)C)C2)C1=O

HCID178480065

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3f1e73d3bb664128be68f5cb640921f9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:56](=[O:57])([OH:58])[O-:59].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][CH2:9][CH:10]([C:11](=[O:12])[OH:13])[NH:14][C:15]([C:16]([CH3:17])([CH3:18])[NH:19][C:20](=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26])=[O:27].[CH3:47][C:48]#[N:49].[CH3:50][CH2:51][O:52][C:53]([CH3:54])=[O:55].[Cl:61][CH2:62][Cl:63].[F:28][c:29]1[cH:30][cH:31][c:32]([CH:35]2[CH2:36][N:37]([CH3:46])[C:38](=[O:45])[C:39]23[CH2:40][NH:41][CH2:42][CH2:43][CH2:44]3)[cH:33][cH:34]1.[Na+:60]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][CH2:9][CH:10]([C:11](=[O:12])[N:41]1[CH2:40][C:39]2([CH:35]([c:32]3[cH:31][cH:30][c:29]([F:28])[cH:34][cH:33]3)[CH2:36][N:37]([CH3:46])[C:38]2=[O:45])[CH2:44][CH2:43][CH2:42]1)[NH:14][C:15]([C:16]([CH3:17])([CH3:18])[NH:19][C:20](=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26])=[O:27]