HRID152765

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID70918

Sulfuryl chloride isocyanate

CClNO3S

结构：CC(C)C(NC(=O)Cn1c(-c2ccccc2)ccc(N)c1=O)C(=O)C(F)(F)F

HCID10250073

未命名化合物

PRODUCTS

生成物

结构：CC(C)C(NC(=O)Cn1c(-c2ccccc2)ccc(NC(N)=O)c1=O)C(=O)C(F)(F)F

HCID9980554

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f8921014e0854e559a9f912278f2be7a
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:36](=[O:37])([OH:38])[O-:39].[CH3:46][CH2:47][O:48][C:49](=[O:50])[CH3:51].[Cl:29][S:30](=[O:31])(=[O:32])[N:33]=[C:34]=[O:35].[NH2:1][c:2]1[c:3](=[O:28])[n:4]([CH2:14][C:15](=[O:16])[NH:17][CH:18]([C:19]([C:20]([F:21])([F:22])[F:23])=[O:24])[CH:25]([CH3:26])[CH3:27])[c:5](-[c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)[cH:6][cH:7]1.[Na+:40].[O:41]1[CH2:42][CH2:43][CH2:44][CH2:45]1>>[NH:1]([c:2]1[c:3](=[O:28])[n:4]([CH2:14][C:15](=[O:16])[NH:17][CH:18]([C:19]([C:20]([F:21])([F:22])[F:23])=[O:24])[CH:25]([CH3:26])[CH3:27])[c:5](-[c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)[cH:6][cH:7]1)[C:34]([NH2:33])=[O:35]