HRID2336597

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-

HCID39356

Isoquinoline, 1,2,3,4-tetrahydro-6-methoxy-

C10H13NO

HCID2733205

未命名化合物

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

HCID69283613

未命名化合物

PRODUCTS

生成物

结构：COc1ccc2c(c1)CCN(C(=O)C(Cc1c[nH]c3ccccc13)NC(=O)C(C)C(=O)NCc1cc(F)cc(F)c1)C2

HCID69280069

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-50a58d8277344f5f9014f30b1b53773e
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

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