HRID2314098

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID7672

Phenyl isocyanate

C7H5NO

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID178424204

未命名化合物

PRODUCTS

生成物

结构：Cc1ccccc1-c1n[nH]c2ncc3c(c12)CCN(C(=O)Nc1ccccc1)C3

HCID178424206

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-94b8ed03dfc14891befaba588a5f4c6a
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

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