Hydrochloric Acid → (4-{[6-Amino-3-(2-fluoro-benzyl)-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-ylcarbamoyl]-methyl}-phenyl)-carbamic acid tert-butyl ester

HRID 2337066ノート

反応式

HRID 2337066 の反応式
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][c:9]1[cH:10][cH:11][c:12]([CH2:15][C:16](=[O:17])[OH:18])[cH:13][cH:14]1.[CH3:20][N:21]([CH3:22])[CH2:23][CH2:24][CH2:25][N:26]=[C:27]=[N:28][CH2:29][CH3:30].[CH3:49][N:50]([CH3:51])[CH:52]=[O:53].[ClH:19].[NH2:31][c:32]1[c:33](=[O:48])[n:34]([CH2:40][c:41]2[c:42]([F:47])[cH:43][cH:44][cH:45][cH:46]2)[c:35](=[O:39])[nH:36][c:37]1[NH2:38]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][c:9]1[cH:10][cH:11][c:12]([CH2:15][C:16](=[O:18])[NH:31][c:32]2[c:33](=[O:48])[n:34]([CH2:40][c:41]3[c:42]([F:47])[cH:43][cH:44][cH:45][cH:46]3)[c:35](=[O:39])[nH:36][c:37]2[NH2:38])[cH:13][cH:14]1

参加物

6

反応物 5

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 28249932-(4-((Tert-butoxycarbonyl)amino)phenyl)acetic acidHCID 587628315,6-diamino-3-(2-fluoro-benzyl)-1H-pyrimidine-2,4-dione

生成物 1

HCID 58762847(4-{[6-Amino-3-(2-fluoro-benzyl)-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-ylcarbamoyl]-methyl}-phenyl)-carbamic acid tert-butyl ester

出典と根拠

ORDレコード
ord-09d8c9f5a3da44b982d201d83bbcf84d
出典データセット
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反応ノート

読み込み中…