Water → (4-Methoxyphenyl)methyl 2-[(4-bromo-1-methylpyrazol-3-yl)-(2,2,2-trichloroethoxycarbonyl)amino]-4-methylpentanoate

HRID 95430ノート

反応式

HRID 95430 の反応式
[Br:1][c:2]1[c:3]([NH:8][C:9]([O:10][CH2:11][C:12]([Cl:13])([Cl:14])[Cl:15])=[O:16])[n:4][n:5]([CH3:7])[cH:6]1.[O:54]=[C:55]([O:56][CH:57]([CH3:58])[CH3:59])[N:60]=[N:61][C:62]([O:63][CH:64]([CH3:65])[CH3:66])=[O:67].[O:68]=[CH:69][N:70]([CH3:71])[CH3:72].[OH2:73].[OH:17][CH:18]([C:19](=[O:20])[O:21][CH2:22][c:23]1[cH:24][cH:25][c:26]([O:29][CH3:30])[cH:27][cH:28]1)[CH2:31][CH:32]([CH3:33])[CH3:34].[c:35]1([P:36]([c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)[c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)[cH:49][cH:50][cH:51][cH:52][cH:53]1>>[Br:1][c:2]1[c:3]([N:8]([C:9]([O:10][CH2:11][C:12]([Cl:13])([Cl:14])[Cl:15])=[O:16])[CH:18]([C:19](=[O:20])[O:21][CH2:22][c:23]2[cH:24][cH:25][c:26]([O:29][CH3:30])[cH:27][cH:28]2)[CH2:31][CH:32]([CH3:33])[CH3:34])[n:4][n:5]([CH3:7])[cH:6]1

参加物

7

反応物 6

HCID 962WaterHCID 6228DimethylformamideHCID 11776TriphenylphosphineHCID 75555Diisopropyl diazene-1,2-dicarboxylateHCID 222360714-Methoxybenzyl 2-hydroxy-4-methylpentanoateHCID 691521582,2,2-trichloroethyl 4-bromo-1-methyl-1H-pyrazol-3-ylcarbamate

生成物 1

HCID 22236149(4-Methoxyphenyl)methyl 2-[(4-bromo-1-methylpyrazol-3-yl)-(2,2,2-trichloroethoxycarbonyl)amino]-4-methylpentanoate

出典と根拠

ORDレコード
ord-51b838891f7346568d85e3a8f518f59f
出典データセット
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反応ノート

読み込み中…