HRID297381

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+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID392871

1-(tert-Butoxycarbonyl)-4-piperidinecarboxylic acid

C11H19NO4

HCID12096223

(1H-indazol-5-yl)methanamine

C8H9N3

HCID178418300

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(C(=O)NCc2ccc3[nH]ncc3c2)CC1

HCID18447544

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-22c1860373854bb1bdbffa089207f10c
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:12]([CH3:13])([CH3:14])([CH3:15])[O:16][C:17](=[O:18])[N:19]1[CH2:20][CH2:21][CH:22]([C:25](=[O:26])[OH:27])[CH2:23][CH2:24]1.[CH2:29]([N:30]=[C:31]=[N:32][CH2:33][CH2:34][CH2:35][N:36]([CH3:37])[CH3:38])[CH3:39].[CH3:55][N:56]([CH3:57])[CH:58]=[O:59].[ClH:28].[Na+:50].[OH2:60].[OH:40][c:41]1[c:42]2[n:43][n:44][nH:45][c:46]2[cH:47][cH:48][cH:49]1.[OH:51][C:52](=[O:53])[O-:54].[nH:1]1[n:2][cH:3][c:4]2[cH:5][c:6]([CH2:10][NH2:11])[cH:7][cH:8][c:9]12>>[nH:1]1[n:2][cH:3][c:4]2[cH:5][c:6]([CH2:10][NH:11][C:25]([CH:22]3[CH2:21][CH2:20][N:19]([C:17]([O:16][C:12]([CH3:13])([CH3:14])[CH3:15])=[O:18])[CH2:24][CH2:23]3)=[O:26])[cH:7][cH:8][c:9]12