HRID668943

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID1140

Toluene

C7H8

HCID21890860

2-Methoxybenzeneacetyl isothiocyanate

C10H9NO2S

结构：COc1cccc(Nc2cc3nccc(Oc4ccc(N)cc4F)c3s2)c1

HCID59457737

未命名化合物

PRODUCTS

生成物

结构：COc1cccc(Nc2cc3nccc(Oc4ccc(NC(=S)NC(=O)Cc5ccccc5OC)cc4F)c3s2)c1

HCID16717919

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b0d9c72fb8b448eb98e476732fcec2a7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH3:28][O:29][c:30]1[c:31]([CH2:36][C:37](=[O:38])[N:39]=[C:40]=[S:41])[cH:32][cH:33][cH:34][cH:35]1.[CH3:42][CH2:43][OH:44].[CH3:45][c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1.[NH2:1][c:2]1[cH:3][c:4]([F:27])[c:5]([O:6][c:7]2[c:8]3[c:9]([n:10][cH:11][cH:12]2)[cH:13][c:14]([NH:16][c:17]2[cH:18][c:19]([O:23][CH3:24])[cH:20][cH:21][cH:22]2)[s:15]3)[cH:25][cH:26]1>>[NH:1]([c:2]1[cH:3][c:4]([F:27])[c:5]([O:6][c:7]2[c:8]3[c:9]([n:10][cH:11][cH:12]2)[cH:13][c:14]([NH:16][c:17]2[cH:18][c:19]([O:23][CH3:24])[cH:20][cH:21][cH:22]2)[s:15]3)[cH:25][cH:26]1)[C:40]([NH:39][C:37]([CH2:36][c:31]1[c:30]([O:29][CH3:28])[cH:35][cH:34][cH:33][cH:32]1)=[O:38])=[S:41]