HRID285605

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID76257

Diethylphosphorocyanidate

C5H10NO3P

HCID81531

Diisopropylethylamine

C8H19N

HCID21478787

1-Cyclobutyl-1H-indazole-3-carboxylic acid

C12H12N2O2

结构：CC(C)(C)OC(=O)N1CC(N)CCC1CC1(O)CCOCC1

HCID67269813

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CC(NC(=O)c2nn(C3CCC3)c3ccccc23)CCC1CC1(O)CCOCC1

HCID67270197

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6c940b25c5a64ecb80fe91e8c1018d63
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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