HRID1129874

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID8471

Triethylamine

C6H15N

HCID13560103

1-Isocyanatoheptadecane

C18H35NO

HCID54330806

未命名化合物

PRODUCTS

生成物

结构：CCCCCCCCCCCCCCCCCNC(=O)OCC(CO)Oc1cc(C)on1

HCID19986046

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fa7bc421a3944bf8a28f6fcfe7058425
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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