Tetrahydrofuran → 1-(1-methyl-2-oxo-5-phenyl-3H-thieno[2,3-e][1,4]diazepin-3-yl)-3-(3-methylphenyl)urea

反応式

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

参加物

反応物 3

HCID 8028Tetrahydrofuran

HCID 69303m-Tolyl isocyanate

HCID 189690103-amino-1-methyl-5-phenyl-3H-thieno[2,3-e][1,4]diazepin-2-one

生成物 1

HCID 189689331-(1-methyl-2-oxo-5-phenyl-3H-thieno[2,3-e][1,4]diazepin-3-yl)-3-(3-methylphenyl)urea

出典と根拠

ORDレコード: ord-edafa83e366a4f7591191d73d12d13e3
出典データセット: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

反応ノート

読み込み中…