HRID1573711

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

HCID2735695

4-tert-Butylphenyl isocyanate

C11H13NO

HCID67531175

未命名化合物

PRODUCTS

生成物

结构：CNc1cc(Oc2ccc3c(c2)CCCN3C(=O)Nc2ccc(C(C)(C)C)cc2)ncn1

HCID11711699

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4b067c4c6b8843a8bb9aa9f5cee79d71
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:20]([CH3:21])([CH3:22])([CH3:23])[c:24]1[cH:25][cH:26][c:27]([N:30]=[C:31]=[O:32])[cH:28][cH:29]1.[CH2:45]1[O:46][CH2:47][CH2:48][CH2:49]1.[CH3:1][NH:2][c:3]1[cH:4][c:5]([O:9][c:10]2[cH:11][c:12]3[c:17]([cH:18][cH:19]2)[NH:16][CH2:15][CH2:14][CH2:13]3)[n:6][cH:7][n:8]1.[CH3:33][CH2:34][CH2:35][CH2:36][CH2:37][CH3:38].[CH3:39][CH2:40][O:41][C:42]([CH3:43])=[O:44]>>[CH3:1][NH:2][c:3]1[cH:4][c:5]([O:9][c:10]2[cH:11][c:12]3[c:17]([cH:18][cH:19]2)[N:16]([C:31]([NH:30][c:27]2[cH:26][cH:25][c:24]([C:20]([CH3:21])([CH3:22])[CH3:23])[cH:29][cH:28]2)=[O:32])[CH2:15][CH2:14][CH2:13]3)[n:6][cH:7][n:8]1