HRID125446

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID5199320

3-[(4-Methoxyphenyl)methyl]-1H-1,2,4-triazol-5-amine

C10H12N4O

结构：CC1(C(=O)O)CC2([N+](=O)[O-])c3ccccc3C1c1ccccc12

HCID59698574

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(Cc2nc(N)n(C(=O)C3(C)CC4([N+](=O)[O-])c5ccccc5C3c3ccccc34)n2)cc1

HCID58670327

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d3a61642d2fd45e28352ef2558fb0bb7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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