HRID2160574

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID7912

Diisopropylamine

C6H15N

HCID8028

Tetrahydrofuran

C4H8O

HCID15908

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

C8H17N3

HCID181649

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

C5H4N4O

结构：CNc1cc(OC)c(Oc2ccnc(C(=O)O)c2)cc1[N+](=O)[O-]

HCID69001904

未命名化合物

PRODUCTS

生成物

结构：CNc1cc(OC)c(Oc2ccnc(C(N)=O)c2)cc1[N+](=O)[O-]

HCID69006576

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c6f98811aa0f43698959f26cde61de9e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH3:1][O:2][c:3]1[c:4]([O:5][c:6]2[cH:7][c:8]([C:12](=[O:13])[OH:14])[n:9][cH:10][cH:11]2)[cH:15][c:16]([N+:21](=[O:22])[O-:23])[c:17]([NH:19][CH3:20])[cH:18]1.[CH3:24][N:25]([CH3:26])[CH2:27][CH2:28][CH2:29][N:30]=[C:31]=[N:32][CH2:33][CH3:34].[CH:45]([NH:46][CH:47]([CH3:48])[CH3:49])([CH3:50])[CH3:51].[Cl-:52].[NH4+:53].[O:54]1[CH2:55][CH2:56][CH2:57][CH2:58]1.[n:35]1[c:36]2[c:37]([n:38][cH:39][cH:40][cH:41]2)[n:42]([OH:43])[n:44]1>>[CH3:1][O:2][c:3]1[c:4]([O:5][c:6]2[cH:7][c:8]([C:12](=[O:13])[NH2:25])[n:9][cH:10][cH:11]2)[cH:15][c:16]([N+:21](=[O:22])[O-:23])[c:17]([NH:19][CH3:20])[cH:18]1