Methanol → 3-[[1-(2,2-Dimethylbutanoyl)-7-methyl-5-[2-(2-methylphenyl)-2-oxoethyl]-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid

HRID 817944ノート

反応式

HRID 817944 の反応式
[CH3:54][OH:55].[Li+:48].[O:49]1[CH2:50][CH2:51][CH2:52][CH2:53]1.[OH-:47].[OH2:46].[c:1]1([CH3:45])[c:2]([C:7](=[O:8])[CH2:9][N:10]2[C:11](=[O:44])[CH:12]([NH:29][C:30](=[O:31])[NH:32][c:33]3[cH:34][c:35]([C:39](=[O:40])[O:41][CH2:42][CH3:43])[cH:36][cH:37][cH:38]3)[CH2:13][N:14]([C:22]([C:23]([CH2:24][CH3:25])([CH3:26])[CH3:27])=[O:28])[c:15]3[c:16]2[cH:17][c:18]([CH3:21])[cH:19][cH:20]3)[cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([CH3:45])[c:2]([C:7](=[O:8])[CH2:9][N:10]2[C:11](=[O:44])[CH:12]([NH:29][C:30](=[O:31])[NH:32][c:33]3[cH:34][c:35]([C:39](=[O:40])[OH:41])[cH:36][cH:37][cH:38]3)[CH2:13][N:14]([C:22]([C:23]([CH2:24][CH3:25])([CH3:26])[CH3:27])=[O:28])[c:15]3[c:16]2[cH:17][c:18]([CH3:21])[cH:19][cH:20]3)[cH:3][cH:4][cH:5][cH:6]1

参加物

7

反応物 6

HCID 887MethanolHCID 961HydroxideHCID 962WaterHCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 212017191-[1-(2-toluoylmethyl)-2-oxo-5-(2,2-dimethylbutanoyl)-8-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-3-yl]-3-(3-ethoxycarbonylphenyl)urea

生成物 1

HCID 212019713-[[1-(2,2-Dimethylbutanoyl)-7-methyl-5-[2-(2-methylphenyl)-2-oxoethyl]-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid

出典と根拠

ORDレコード
ord-c0f6dc8a459f45f18925bbb36161b5bd
出典データセット
Test data from https://doi.org/10.1039/C8SC04228D

反応ノート

読み込み中…