HRID1134499

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6342

Acetonitrile

C2H3N

HCID6422

未命名化合物

HCID26255

Tetrafluoroborate

BF4-

HCID130500

未命名化合物

HCID21091473

未命名化合物

结构：NC(Cc1c[nH]c2ccccc12)C(=O)N1CCc2ccccc2C1

HCID69282442

未命名化合物

PRODUCTS

生成物

结构：CC(C(=O)NCc1cc(F)cc(F)c1)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N1CCc2ccccc2C1

HCID69280666

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d589fd75a36845149c66bcb9246e14c7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[B-:25]([F:26])([F:27])([F:28])[F:29].[CH3:64][C:65]#[N:66].[F:47][c:48]1[cH:49][c:50]([CH2:51][NH:52][C:53]([CH:54]([C:55](=[O:56])[OH:57])[CH3:58])=[O:59])[cH:60][c:61]([F:63])[cH:62]1.[F:72][C:73]([F:74])([F:75])[C:76]([OH:77])=[O:78].[NH2:1][CH:2]([C:3](=[O:4])[N:5]1[CH2:6][c:7]2[cH:8][cH:9][cH:10][cH:11][c:12]2[CH2:13][CH2:14]1)[CH2:15][c:16]1[cH:17][nH:18][c:19]2[cH:20][cH:21][cH:22][cH:23][c:24]12.[O:67]=[CH:68][N:69]([CH3:70])[CH3:71].[n:30]1([O:31][C:32]([N:33]([CH3:34])[CH3:35])=[N+:36]([CH3:37])[CH3:38])[c:39]2[cH:40][cH:41][cH:42][cH:43][c:44]2[n:45][n:46]1>>[NH:1]([CH:2]([C:3](=[O:4])[N:5]1[CH2:6][c:7]2[cH:8][cH:9][cH:10][cH:11][c:12]2[CH2:13][CH2:14]1)[CH2:15][c:16]1[cH:17][nH:18][c:19]2[cH:20][cH:21][cH:22][cH:23][c:24]12)[C:55]([CH:54]([C:53]([NH:52][CH2:51][c:50]1[cH:49][c:48]([F:47])[cH:62][c:61]([F:63])[cH:60]1)=[O:59])[CH3:58])=[O:56]