HRID2329272

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6329

Methylamine

CH5N

HCID8028

Tetrahydrofuran

C4H8O

结构：COc1cc2nccc(Oc3ccc(NC(=S)NC(=O)Cc4ccccc4)cc3F)c2cc1C(=O)O

HCID86650699

未命名化合物

PRODUCTS

生成物

结构：CNC(=O)c1cc2c(Oc3ccc(NC(=S)NC(=O)Cc4ccccc4)cc3F)ccnc2cc1OC

HCID44247727

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9f1089f4047f4c56be39c0ad72c9ec20
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

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