HRID2345607

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

2 次

HCID8028

Tetrahydrofuran

C4H8O

HCID67164

Thiamorpholine

C4H9NS

HCID2724942

未命名化合物

反应SMILES：CC(C)(C)OC(=O)NCC(C=O)SCc1ccccc1

HCID59136000

Tert-butyl [2-(benzylthio)-3-oxopropyl]carbamate

C15H21NO3S

PRODUCTS

产物

反应SMILES：CC(C)(C)OC(=O)NCC(CN1CCSCC1)SCc1ccccc1

HCID59135685

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-12bf7100bb0f43a68e5a4bd30d78a55b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应SMILES

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