HRID194634

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID26255

Tetrafluoroborate

BF4-

HCID130500

未命名化合物

HCID5311799

2-Amino-3,3,3-trifluoro-2-methylpropanoic acid

C4H6F3NO2

结构：Cn1c(Nc2cc(CN)ccc2Cl)nc2cc(Cl)c(N3CCCC(C(F)(F)F)C3)cc21

HCID67958201

未命名化合物

PRODUCTS

生成物

结构：Cn1c(Nc2cc(CNC(=O)C(C)(N)C(F)(F)F)ccc2Cl)nc2cc(Cl)c(N3CCCC(C(F)(F)F)C3)cc21

HCID86674331

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cec41164745b47fbb6aa87b28043a783
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[B-:1]([F:2])([F:3])([F:4])[F:5].[Cl:33][c:34]1[c:35]([NH:42][c:43]2[n:44][c:45]3[c:46]([n:47]2[CH3:48])[cH:49][c:50]([N:54]2[CH2:55][CH:56]([C:60]([F:61])([F:62])[F:63])[CH2:57][CH2:58][CH2:59]2)[c:51]([Cl:53])[cH:52]3)[cH:36][c:37]([CH2:38][NH2:39])[cH:40][cH:41]1.[NH2:23][C:24]([C:25](=[O:26])[OH:27])([C:28]([F:29])([F:30])[F:31])[CH3:32].[O:64]=[CH:65][N:66]([CH3:67])[CH3:68].[n:6]1([O:7][C:8]([N:9]([CH3:10])[CH3:11])=[N+:12]([CH3:13])[CH3:14])[c:15]2[cH:16][cH:17][cH:18][cH:19][c:20]2[n:21][n:22]1>>[NH2:23][C:24]([C:25](=[O:26])[NH:39][CH2:38][c:37]1[cH:36][c:35]([NH:42][c:43]2[n:44][c:45]3[c:46]([n:47]2[CH3:48])[cH:49][c:50]([N:54]2[CH2:55][CH:56]([C:60]([F:61])([F:62])[F:63])[CH2:57][CH2:58][CH2:59]2)[c:51]([Cl:53])[cH:52]3)[c:34]([Cl:33])[cH:41][cH:40]1)([C:28]([F:29])([F:30])[F:31])[CH3:32]