HRID281037

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8058

Hexane

C6H14

HCID61033

Propyl isocyanate

C4H7NO

HCID10048624

未命名化合物

PRODUCTS

产物

HCID10436714

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-b4c74bae73fc4bbfacefcfb0d8abbb71
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应SMILES

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