Trifluoroacetic acid → 3-[3-[1-(2-toluoylmethyl)-2-oxo-5-(2-thenoyl)-8-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-3-yl]ureido]benzoic acid

反応式

[OH:48][C:49]([C:50]([F:51])([F:52])[F:53])=[O:54].[c:1]1([CH3:47])[c:2]([C:7](=[O:8])[CH2:9][N:10]2[C:11](=[O:46])[CH:12]([NH:29][C:30](=[O:31])[NH:32][c:33]3[cH:34][c:35]([C:39](=[O:40])[O:41][C:42]([CH3:43])([CH3:44])[CH3:45])[cH:36][cH:37][cH:38]3)[CH2:13][N:14]([C:22]([c:23]3[cH:24][cH:25][cH:26][s:27]3)=[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([CH3:47])[c:2]([C:7](=[O:8])[CH2:9][N:10]2[C:11](=[O:46])[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]3[cH:24][cH:25][cH:26][s:27]3)=[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

反応物 2

HCID 6422Trifluoroacetic acid

HCID 212016271-[1-(2-toluoylmethyl)-2-oxo-5-(2-thenoyl)-8-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-3-yl]-3-(3-tert-butoxycarbonylphenyl)urea

生成物 1

HCID 212017143-[3-[1-(2-toluoylmethyl)-2-oxo-5-(2-thenoyl)-8-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-3-yl]ureido]benzoic acid

出典と根拠

ORDレコード: ord-6bf0a4013dc540dcb9cdf7237d1c9529
出典データセット: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

反応ノート

読み込み中…