HRID182461

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID18450

2-Chloro-4,6-dimethoxy-1,3,5-triazine

C5H6ClN3O2

HCID416902

1,5-Dimethyl glutamate

C7H13NO4

结构：Nc1nc(O)c2c(n1)NCC(CCc1c[nH]c(C(=O)O)c1)C2

HCID178508894

未命名化合物

PRODUCTS

生成物

结构：COC(=O)CCC(NC(=O)c1cc(CCC2CNc3nc(N)nc(O)c3C2)c[nH]1)C(=O)OC

HCID178500514

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fc9e15a3f6254c0ea5eb2bad2702da8d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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