HRID1218859

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID15908

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

C8H17N3

HCID31018

3-(Aminomethyl)pyridine

C6H8N2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

结构：Cc1cc(-c2n[nH]c(Cc3ccccc3)n2)sc1C(=O)O

HCID59179713

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(-c2n[nH]c(Cc3ccccc3)n2)sc1C(=O)NCc1cccnc1

HCID24957855

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-34355e4ef208469e9864db1fe0e1b806
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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