HRID1562328

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID2346

Benzyl Isothiocyanate

C8H7NS

HCID6228

Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID86587769

未命名化合物

PRODUCTS

产物

HCID18537667

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-6c3b1280c70d492bab0476bf616c893a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应SMILES

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