HRID172535

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID971

Oxalic acid

C2H2O4

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID600190

1-(5-Phenyl-1,3,4-oxadiazol-2-yl)methanamine

C9H9N3O

HCID53733515

未命名化合物

PRODUCTS

生成物

结构：O=C(NCc1nnc(-c2ccccc2)o1)C(O)CCCCCCc1ccccc1

HCID66822251

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ac40af40a8e04a6790925f7ff01fc282
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:18]([OH:19])(=[O:20])[C:21]([OH:22])=[O:23].[CH2:57]([N:58]=[C:59]=[N:60][CH2:61][CH2:62][CH2:63][N:64]([CH3:65])[CH3:66])[CH3:67].[CH:47]([N:48]([CH:49]([CH3:50])[CH3:51])[CH2:52][CH3:53])([CH3:54])[CH3:55].[ClH:56].[O:68]=[CH:69][N:70]([CH3:71])[CH3:72].[OH:1][CH:2]([C:3](=[O:4])[OH:5])[CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1.[OH:37][n:38]1[c:39]2[c:40]([cH:41][cH:42][cH:43][cH:44]2)[n:45][n:46]1.[c:24]1(-[c:30]2[n:31][n:32][c:33]([CH2:35][NH2:36])[o:34]2)[cH:25][cH:26][cH:27][cH:28][cH:29]1>>[OH:1][CH:2]([C:3](=[O:5])[NH:36][CH2:35][c:33]1[n:32][n:31][c:30](-[c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[o:34]1)[CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1