HRID690225

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID67868

3-Iodobenzotrifluoride

C7H4F3I

反应SMILES：CC(C)C(=O)Nc1cccc(C2CCN(Cc3cccc4[nH]ccc34)CC2)c1

HCID22048637

未命名化合物

PRODUCTS

产物

反应SMILES：CC(C)C(=O)Nc1cccc(C2CCN(Cc3cccc4c3ccn4-c3cccc(C(F)(F)F)c3)CC2)c1

HCID22049512

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-3e6f8fe6a3144c6db9708b96619cc3b1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应SMILES

[I:1][c:2]1[cH:3][c:4]([C:8]([F:9])([F:10])[F:11])[cH:5][cH:6][cH:7]1.[nH:12]1[cH:13][cH:14][c:15]2[c:16]([CH2:21][N:22]3[CH2:23][CH2:24][CH:25]([c:28]4[cH:29][c:30]([NH:34][C:35]([CH:36]([CH3:37])[CH3:38])=[O:39])[cH:31][cH:32][cH:33]4)[CH2:26][CH2:27]3)[cH:17][cH:18][cH:19][c:20]12>>[c:2]1(-[n:12]2[cH:13][cH:14][c:15]3[c:16]([CH2:21][N:22]4[CH2:23][CH2:24][CH:25]([c:28]5[cH:29][c:30]([NH:34][C:35]([CH:36]([CH3:37])[CH3:38])=[O:39])[cH:31][cH:32][cH:33]5)[CH2:26][CH2:27]4)[cH:17][cH:18][cH:19][c:20]23)[cH:3][c:4]([C:8]([F:9])([F:10])[F:11])[cH:5][cH:6][cH:7]1