HRID282744

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

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID57149538

3-(2-Cyanopropan-2-yl)benzoic acid

C11H11NO2

结构：COc1ccc(N)cc1Oc1ccc2nc(NC(=O)C3CC3)cn2n1

HCID57505485

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1Oc1ccc2nc(NC(=O)C3CC3)cn2n1

HCID57505697

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5349f73f6e134231b981ba46523fea80
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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