3-Acetylamino-5-(2-oxopyrrolidin-1-yl)benzoic acid → 3-acetamido-N-[6-(2-bicyclo[2.2.1]heptanylamino)-3-hydroxy-5-methyl-6-oxo-1-phenylhexan-2-yl]-5-(2-oxopyrrolidin-1-yl)benzamide

반응식

[C:1]([CH3:2])(=[O:3])[NH:4][c:5]1[cH:6][c:7]([C:8](=[O:9])[OH:10])[cH:11][c:12]([N:14]2[C:15](=[O:19])[CH2:16][CH2:17][CH2:18]2)[cH:13]1.[CH:20]12[CH:21]([NH:27][C:28]([CH:29]([CH2:30][CH:31]([CH:32]([CH2:33][c:34]3[cH:35][cH:36][cH:37][cH:38][cH:39]3)[NH2:40])[OH:41])[CH3:42])=[O:43])[CH2:22][CH:23]([CH2:24][CH2:25]1)[CH2:26]2>>[C:1]([CH3:2])(=[O:3])[NH:4][c:5]1[cH:6][c:7]([C:8](=[O:10])[NH:40][CH:32]([CH:31]([CH2:30][CH:29]([C:28]([NH:27][CH:21]2[CH:20]3[CH2:25][CH2:24][CH:23]([CH2:22]2)[CH2:26]3)=[O:43])[CH3:42])[OH:41])[CH2:33][c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[cH:11][c:12]([N:14]2[C:15](=[O:19])[CH2:16][CH2:17][CH2:18]2)[cH:13]1

참가 물질

반응물 2

HCID 222530043-Acetylamino-5-(2-oxopyrrolidin-1-yl)benzoic acid

HCID 1784505995-amino-N-(2-bicyclo[2.2.1]heptanyl)-4-hydroxy-2-methyl-6-phenylhexanamide

생성물 1

HCID 222529963-acetamido-N-[6-(2-bicyclo[2.2.1]heptanylamino)-3-hydroxy-5-methyl-6-oxo-1-phenylhexan-2-yl]-5-(2-oxopyrrolidin-1-yl)benzamide

출처 및 근거

ORD 기록: ord-8cac340702664ce1a889774af30a4449
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

반응 노트

불러오는 중…