HRID2127832

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

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

C8H17N3

HCID81531

Diisopropylethylamine

C8H19N

HCID5743468

N5,N5-Dimethylpyridine-2,5-diamine

C7H11N3

结构：COc1cc2ncnc(Oc3ccc(CC(=O)O)cc3)c2cc1OC

HCID66906632

未命名化合物

HCID178526252

未命名化合物

PRODUCTS

生成物

结构：COc1cc2ncnc(Oc3ccc(CC(=O)Nc4ccc(N(C)C)cn4)cc3)c2cc1OC

HCID11719537

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-db4772d31b664b12bf11df419a30f80f
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

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