HRID289761

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID10001

1-Propanamine, 3,3,3-trifluoro- (9CI)

C3H6F3N

结构：O=C(O)CC(=O)NC1C(=O)N(CCOCc2ccccc2)c2ccccc2-c2ccccc21

HCID178525629

未命名化合物

PRODUCTS

生成物

结构：O=C(CC(=O)NC1C(=O)N(CCOCc2ccccc2)c2ccccc2-c2ccccc21)NCCC(F)(F)F

HCID178520895

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8ae10a3be12d4924afb5d27910c180ac
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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