HRID95819

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID24730129

未命名化合物

HCID178508178

未命名化合物

PRODUCTS

生成物

结构：N#Cc1cccc(-c2cccc(C(=O)Nc3nc4c(C(=O)Nc5ncc[nH]5)cccc4[nH]3)n2)c1

HCID66940439

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8f0a95fe22434f99a6defc681abac9d6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:1](#[N:2])[c:3]1[cH:4][c:5](-[c:9]2[cH:10][cH:11][cH:12][c:13]([C:15](=[O:16])[OH:17])[n:14]2)[cH:6][cH:7][cH:8]1.[CH:70]([N:71]([CH2:72][CH3:73])[CH:74]([CH3:75])[CH3:76])([CH3:77])[CH3:78].[Na+:64].[O-:60][C:61]([OH:62])=[O:63].[O:65]=[CH:66][N:67]([CH3:68])[CH3:69].[OH2:79].[P-:18]([F:19])([F:20])([F:21])([F:22])([F:23])[F:24].[n:25]1([O:26][C:27]([N:28]([CH3:29])[CH3:30])=[N+:31]([CH3:32])[CH3:33])[c:34]2[cH:35][cH:36][cH:37][cH:38][c:39]2[n:40][n:41]1.[nH:42]1[c:43]([NH:47][C:48](=[O:49])[c:50]2[cH:51][cH:52][cH:53][c:54]3[n:55][c:56]([NH2:59])[nH:57][c:58]23)[n:44][cH:45][cH:46]1>>[C:1](#[N:2])[c:3]1[cH:4][c:5](-[c:9]2[cH:10][cH:11][cH:12][c:13]([C:15](=[O:17])[NH:59][c:56]3[nH:55][c:54]4[cH:53][cH:52][cH:51][c:50]([C:48]([NH:47][c:43]5[n:42][cH:46][cH:45][nH:44]5)=[O:49])[c:58]4[n:57]3)[n:14]2)[cH:6][cH:7][cH:8]1