HRID827826

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID971

Oxalic acid

C2H2O4

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID68263

1,1'-Carbonylbis(1H-imidazole)

C7H6N4O

HCID4552537

4-Hydroxy-1-adamantanecarboxylic acid

C11H16O3

结构：CC(C)n1nc(C(=O)NCCN2CCC(N)CC2)c2ccccc21

HCID9840452

未命名化合物

PRODUCTS

生成物

HCID971

Oxalic acid

C2H2O4

结构：CC(C)n1nc(C(=O)NCCN2CCC(NC(=O)C34CC5CC(C3)C(O)C(C5)C4)CC2)c2ccccc21

HCID9827579

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-88fc6c47deca4f07aa1efbf2434a6db5
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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