查数据/反应详情

HRID138902

反应详情

EQUATION

反应方程式

HRID 138902 的结构方程式

REACTANTS

反应物

2

结构：CCC(N)(CC)C(=O)NC

未命名化合物

结构：O=C(O)c1ccc(N(CC(F)(F)F)CC(F)(F)F)c(OCC2CC2)n1

未命名化合物

PRODUCTS

生成物

1

结构：CCC(CC)(NC(=O)c1ccc(N(CC(F)(F)F)CC(F)(F)F)c(OCC2CC2)n1)C(=O)NC

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f32b3121254d45b8bae499b7e29771d0
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

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

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