HRID944978

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID79177

Acetic acid, bromo-, 1,1-dimethylethyl ester

C6H11BrO2

反应SMILES：COC(C)C(=O)N1N=C(c2cc(F)ccc2F)SC1(CCCN)c1ccccc1

HCID67214737

未命名化合物

PRODUCTS

产物

反应SMILES：CC(OCC(=O)OC(C)(C)C)C(=O)N1N=C(c2cc(F)ccc2F)SC1(CCCN)c1ccccc1

HCID69492915

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-413aec90ffde440e949fd0598b9d2909
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应SMILES

[Br:1][CH2:2][C:3](=[O:4])[O:5][C:6]([CH3:7])([CH3:8])[CH3:9].[NH2:10][CH2:11][CH2:12][CH2:13][C:14]1([c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[S:15][C:16]([c:25]2[c:26]([F:32])[cH:27][cH:28][c:29]([F:31])[cH:30]2)=[N:17][N:18]1[C:19]([CH:20]([CH3:21])[O:22][CH3:23])=[O:24]>>[CH2:2]([C:3](=[O:4])[O:5][C:6]([CH3:7])([CH3:8])[CH3:9])[O:22][CH:20]([C:19]([N:18]1[C:14]([CH2:13][CH2:12][CH2:11][NH2:10])([c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[S:15][C:16]([c:25]2[c:26]([F:32])[cH:27][cH:28][c:29]([F:31])[cH:30]2)=[N:17]1)=[O:24])[CH3:21]