HRID151355

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID15908

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

C8H17N3

HCID81531

Diisopropylethylamine

C8H19N

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

HCID66906632

未命名化合物

HCID178418690

未命名化合物

HCID178526252

未命名化合物

PRODUCTS

生成物

结构：COc1cc2ncnc(Oc3ccc(CC(=O)Nc4cc(C)n[nH]4)cc3)c2cc1OC

HCID178486874

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ef007def131545618b471954d1a66f8c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

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:53]([N:54]([CH:55]([CH3:56])[CH3:57])[CH2:58][CH3:59])([CH3:60])[CH3:61].[ClH:1].[NH2:46][c:47]1[cH:48][c:49]([CH3:52])[n:50][nH:51]1.[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:44])[NH:46][c:47]4[cH:48][c:49]([CH3:52])[n:50][nH:51]4)[cH:40][cH:41]3)[n:27][cH:28][n:29][c:30]2[cH:31][c:32]1[O:33][CH3:34]