HRID124203

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID62832

3-Chloro-4-methylphenyl isocyanate

C8H6ClNO

HCID25235732

未命名化合物

PRODUCTS

产物

HCID25235824

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-539514c899064eb9b7ac5fc332b10ebe
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应SMILES

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