HRID1550402

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID76257

Diethylphosphorocyanidate

C5H10NO3P

HCID81531

Diisopropylethylamine

C8H19N

HCID4913064

未命名化合物

HCID10679695

1-(Propan-2-yl)-1H-indazole-3-carboxylic acid

C11H12N2O2

PRODUCTS

生成物

结构：COC(=O)C1CC(NC(=O)c2nn(C(C)C)c3ccccc23)CN1C(=O)OC(C)(C)C

HCID178498440

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bee76954096246c2b8879d2a58d254d8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:33]([P:34](=[O:35])([O:36][CH2:37][CH3:38])[O:39][CH2:40][CH3:41])#[N:42].[CH3:52][N:53]([CH3:54])[CH:55]=[O:56].[CH:1]([CH3:2])([CH3:3])[n:4]1[n:5][c:6]([C:13](=[O:14])[OH:15])[c:7]2[cH:8][cH:9][cH:10][cH:11][c:12]12.[CH:43]([N:44]([CH2:45][CH3:46])[CH:47]([CH3:48])[CH3:49])([CH3:50])[CH3:51].[NH2:16][CH:17]1[CH2:18][CH:19]([C:29](=[O:30])[O:31][CH3:32])[N:20]([C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[CH2:21]1>>[CH:1]([CH3:2])([CH3:3])[n:4]1[n:5][c:6]([C:13](=[O:15])[NH:16][CH:17]2[CH2:18][CH:19]([C:29](=[O:30])[O:31][CH3:32])[N:20]([C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[CH2:21]2)[c:7]2[cH:8][cH:9][cH:10][cH:11][c:12]12