HRID113944

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID284728

2-Methyl-1,3-thiazole-4-carboxylic acid

C5H5NO2S

结构：Cc1ccc(Oc2ccc3nc(NC(=O)C4CC4)cn3n2)cc1N

HCID57505476

未命名化合物

PRODUCTS

生成物

结构：Cc1nc(C(=O)Nc2cc(Oc3ccc4nc(NC(=O)C5CC5)cn4n3)ccc2C)cs1

HCID57505621

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-edaf65d5196946849f87853aea5ed260
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

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