HRID283458

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

HCID8857

Ethyl acetate

C4H8O2

HCID15908

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

C8H17N3

HCID181649

3H-1,2,3-Triazolo[4,5-b]pyridine, 3-hydroxy-

C5H4N4O

HCID192730

4-Ketocyclohexanecarboxylic acid

C7H10O3

HCID67345655

未命名化合物

PRODUCTS

生成物

结构：CC1CN(C(=O)C2CCC(=O)CC2)CCN1c1nnc(-c2ccccc2)c2ccccc12

HCID25151457

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-134c9280ccb642608f8d6ab06a734ec0
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:56](=[O:57])([OH:58])[O-:59].[CH2:45]([N:46]=[C:47]=[N:48][CH2:49][CH2:50][CH2:51][N:52]([CH3:53])[CH3:54])[CH3:55].[CH3:1][CH:2]1[N:3]([c:8]2[n:9][n:10][c:11](-[c:18]3[cH:19][cH:20][cH:21][cH:22][cH:23]3)[c:12]3[cH:13][cH:14][cH:15][cH:16][c:17]23)[CH2:4][CH2:5][NH:6][CH2:7]1.[CH3:61][CH2:62][O:63][C:64](=[O:65])[CH3:66].[ClH:44].[Na+:60].[O:67]=[CH:68][N:69]([CH3:70])[CH3:71].[OH:24][C:25](=[O:26])[CH:27]1[CH2:28][CH2:29][C:30](=[O:31])[CH2:32][CH2:33]1.[n:34]1[c:35]2[c:36]([n:37][cH:38][cH:39][cH:40]2)[n:41]([OH:42])[n:43]1>>[CH3:1][CH:2]1[N:3]([c:8]2[n:9][n:10][c:11](-[c:18]3[cH:19][cH:20][cH:21][cH:22][cH:23]3)[c:12]3[cH:13][cH:14][cH:15][cH:16][c:17]23)[CH2:4][CH2:5][N:6]([C:25](=[O:24])[CH:27]2[CH2:28][CH2:29][C:30](=[O:31])[CH2:32][CH2:33]2)[CH2:7]1