HRID92859

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

HCID8471

Triethylamine

C6H15N

HCID15908

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

C8H17N3

HCID4136128

1-Benzyl-N-methylpiperidin-4-amine

C13H20N2

HCID4248454

2H-Indazole-5-carboxylic acid

C8H6N2O2

HCID178418300

未命名化合物

PRODUCTS

生成物

结构：CN(C(=O)c1ccc2[nH]ncc2c1)C1CCN(Cc2ccccc2)CC1

HCID22933863

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6897a85b8e00488584fe86599ec202fc
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

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