HRID2318021

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID69194

1-Isocyanato-2-methylbenzene

C8H7NO

HCID21467142

未命名化合物

PRODUCTS

生成物

结构：Cc1ccccc1NC(=O)Nc1ccc(C(=O)N2CCCCc3sccc32)cc1

HCID19029050

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-541caf71d25247dbb5c5d61e2ec945b3
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

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