HRID680722

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8471

Triethylamine

C6H15N

HCID12228

Methyl isocyanate

C2H3NO

结构：COC(=O)c1sc(-c2cccc(NC3CCCCC3)c2)c(Br)c1OCC(=O)OC(C)(C)C

HCID57640828

未命名化合物

PRODUCTS

生成物

结构：CNC(=O)N(c1cccc(-c2sc(C(=O)OC)c(OCC(=O)OC(C)(C)C)c2Br)c1)C1CCCCC1

HCID68832992

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c6fd1e3ac2cd48fdb922d057287bcc74
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH3:1][O:2][C:3](=[O:4])[c:5]1[s:6][c:7](-[c:20]2[cH:21][c:22]([NH:26][CH:27]3[CH2:28][CH2:29][CH2:30][CH2:31][CH2:32]3)[cH:23][cH:24][cH:25]2)[c:8]([Br:19])[c:9]1[O:10][CH2:11][C:12](=[O:13])[O:14][C:15]([CH3:16])([CH3:17])[CH3:18].[CH3:33][N:34]=[C:35]=[O:36].[CH3:37][CH2:38][N:39]([CH2:40][CH3:41])[CH2:42][CH3:43]>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[s:6][c:7](-[c:20]2[cH:21][c:22]([N:26]([CH:27]3[CH2:28][CH2:29][CH2:30][CH2:31][CH2:32]3)[C:35]([NH:34][CH3:33])=[O:36])[cH:23][cH:24][cH:25]2)[c:8]([Br:19])[c:9]1[O:10][CH2:11][C:12](=[O:13])[O:14][C:15]([CH3:16])([CH3:17])[CH3:18]