HRID2139900

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID22860

Aniline, p-benzyloxy-

C13H13NO

HCID78250

Indazole-3-carboxylic acid

C8H6N2O2

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1ccc(OCc2ccccc2)cc1)c1n[nH]c2ccccc12

HCID9314292

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-096f080b3f9340998a3830e8fe727266
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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