HRID1132491

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID787

Hydroxylamine

H3NO

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID10928

Ethyl chloroformate

C3H5ClO2

结构：O=C(O)CCCCNC(=O)c1cccc(C=C2C(=O)Nc3ccc(F)cc32)c1

HCID69031932

未命名化合物

PRODUCTS

生成物

结构：O=C(CCCCNC(=O)c1cccc(C=C2C(=O)Nc3ccc(F)cc32)c1)NO

HCID76603896

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b2cee2e1ea3648a0a8bad5731ee7f865
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH3:29][CH2:30][N:31]([CH2:32][CH3:33])[CH2:34][CH3:35].[Cl:36][C:37]([O:38][CH2:39][CH3:40])=[O:41].[F:1][c:2]1[cH:3][c:4]2[c:8]([cH:9][cH:10]1)[NH:7][C:6](=[O:11])[C:5]2=[CH:12][c:13]1[cH:14][c:15]([C:16](=[O:17])[NH:18][CH2:19][CH2:20][CH2:21][CH2:22][C:23](=[O:24])[OH:25])[cH:26][cH:27][cH:28]1.[NH2:42][OH:43].[O:44]=[CH:45][N:46]([CH3:47])[CH3:48]>>[F:1][c:2]1[cH:3][c:4]2[c:8]([cH:9][cH:10]1)[NH:7][C:6](=[O:11])[C:5]2=[CH:12][c:13]1[cH:14][c:15]([C:16](=[O:17])[NH:18][CH2:19][CH2:20][CH2:21][CH2:22][C:23](=[O:24])[NH:42][OH:43])[cH:26][cH:27][cH:28]1