HRID670502

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID18965010

1-Methylisoquinoline-3-carboxylic acid

C11H9NO2

HCID178508178

未命名化合物

PRODUCTS

生成物

结构：Cc1nc(C(=O)Nc2nc3c(C(=O)Nc4ncc[nH]4)cccc3[nH]2)cc2ccccc12

HCID58026349

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a39127c65a7d4bc6a3da45c4e44425a5
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

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