HRID1114381

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID8857

Ethyl acetate

C4H8O2

HCID12454157

Phenylacetyl isothiocyanate

C9H7NOS

HCID22936597

未命名化合物

PRODUCTS

生成物

结构：COc1cc2nccc(Oc3ccc(NC(=S)NC(=O)Cc4ccccc4)cn3)c2cc1OC

HCID11340470

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c0641414bc664a17948f026401006607
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

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