查数据/反应详情

HRID2323661

反应详情

EQUATION

反应方程式

HRID 2323661 的结构方程式

REACTANTS

反应物

2

结构：O=C([O-])C(F)(F)F

Trifluoroacetate

C2F3O2-

结构：Cc1nc(-c2ccc(C(F)(F)F)cc2)nn1CCC(C)(C)NC(=O)OC(C)(C)C

未命名化合物

PRODUCTS

生成物

1

结构：Cc1nc(-c2ccc(C(F)(F)F)cc2)nn1CCC(C)(C)N

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-46dab53b58ad4813b1986a320d0fdb59
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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

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