HRID2341309

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID520599

2-Methoxyphenyl isothiocyanate

C8H7NOS

结构：CCOc1ccc(Cc2nc3cc(NC)ccc3n2CC2CC2)cc1

HCID22181288

未命名化合物

PRODUCTS

生成物

结构：CCOc1ccc(Cc2nc3cc(N(C)C(=S)Nc4ccccc4OC)ccc3n2CC2CC2)cc1

HCID22181269

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a1de2c8cdcda4a15bb7721937c6d1458
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH:12]1([CH2:15][n:16]2[c:17]([CH2:27][c:28]3[cH:29][cH:30][c:31]([O:34][CH2:35][CH3:36])[cH:32][cH:33]3)[n:18][c:19]3[c:20]2[cH:21][cH:22][c:23]([NH:25][CH3:26])[cH:24]3)[CH2:13][CH2:14]1.[N:1](=[C:2]=[S:3])[c:4]1[c:5]([O:10][CH3:11])[cH:6][cH:7][cH:8][cH:9]1.[O:37]=[CH:38][N:39]([CH3:40])[CH3:41]>>[NH:1]([C:2](=[S:3])[N:25]([c:23]1[cH:22][cH:21][c:20]2[n:16]([CH2:15][CH:12]3[CH2:13][CH2:14]3)[c:17]([CH2:27][c:28]3[cH:29][cH:30][c:31]([O:34][CH2:35][CH3:36])[cH:32][cH:33]3)[n:18][c:19]2[cH:24]1)[CH3:26])[c:4]1[c:5]([O:10][CH3:11])[cH:6][cH:7][cH:8][cH:9]1