HRID195581

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID81531

Diisopropylethylamine

C8H19N

HCID351663

O-Methyl-DL-methionine

C6H13NO2S

结构：CN1CCN(c2nc(-c3ccc(C4=NC5(CCCCC5)C(=O)O4)cc3)cs2)CC1

HCID57672803

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(CCSC)NC(=O)C1(NC(=O)c2ccc(-c3csc(N4CCN(C)CC4)n3)cc2)CCCCC1

HCID178500638

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c7c1382eb7c6417eb086ee0e7b0c62df
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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