查数据/反应详情

HRID683245

反应详情

EQUATION

反应方程式

HRID 683245 的结构方程式

REACTANTS

反应物

2

结构：Nc1cc(C(F)(F)F)ccc1C(F)(F)F

2,5-Bis(trifluoromethyl)aniline

C8H5F6N

结构：CSc1nc(C(F)(F)F)cc(=O)n1C1CCCCC1

未命名化合物

PRODUCTS

生成物

1

结构：O=c1cc(C(F)(F)F)nc(Nc2cc(C(F)(F)F)ccc2C(F)(F)F)n1C1CCCCC1

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-821ae55423bd4715a539e6691397536e
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

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

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