查数据/反应详情

HRID105364

反应详情

EQUATION

反应方程式

HRID 105364 的结构方程式

REACTANTS

反应物

2

结构：CN

Methylamine

CH5N

结构：O=C(NC(Cc1ccc(OC(F)(F)F)cc1)C(=O)O)c1ccc(OCCCC(F)(F)F)cc1

未命名化合物

PRODUCTS

生成物

1

结构：CNC(=O)C(Cc1ccc(OC(F)(F)F)cc1)NC(=O)c1ccc(OCCCC(F)(F)F)cc1

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f6f9285924ca443687ff51d18c4cf2ff
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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

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