3,3,3-Trifluoropropionic acid → Bes(4-NH2)-DL-N(iBu)Orn(1)-ol.deamino-Ala(F3)-DL-1Nal-(1)

HRID 96944

반응식

HRID 96944 반응식
[F:38][C:39]([CH2:40][C:41](=[O:42])[OH:43])([F:44])[F:45].[NH2:1][CH:2]([C:3](=[O:4])[NH:5][CH2:6][CH2:7][CH2:8][CH:9]([CH2:10][OH:11])[N:12]([CH2:13][CH:14]([CH3:15])[CH3:16])[S:17](=[O:18])(=[O:19])[c:20]1[cH:21][cH:22][c:23]([NH2:26])[cH:24][cH:25]1)[CH2:27][c:28]1[cH:29][cH:30][cH:31][c:32]2[cH:33][cH:34][cH:35][cH:36][c:37]12>>[NH:1]([CH:2]([C:3](=[O:4])[NH:5][CH2:6][CH2:7][CH2:8][CH:9]([CH2:10][OH:11])[N:12]([CH2:13][CH:14]([CH3:15])[CH3:16])[S:17](=[O:18])(=[O:19])[c:20]1[cH:21][cH:22][c:23]([NH2:26])[cH:24][cH:25]1)[CH2:27][c:28]1[cH:29][cH:30][cH:31][c:32]2[cH:33][cH:34][cH:35][cH:36][c:37]12)[C:41]([CH2:40][C:39]([F:38])([F:44])[F:45])=[O:42]

참가 물질

3

반응물 2

HCID 27779723,3,3-Trifluoropropionic acidHCID 18009027Bes(4-NH2)-DL-N(iBu)Orn(1)-ol.H-DL-1Nal-(1)

생성물 1

HCID 18009045Bes(4-NH2)-DL-N(iBu)Orn(1)-ol.deamino-Ala(F3)-DL-1Nal-(1)

출처 및 근거

ORD 기록
ord-f5ee2616f24449d29bdd13f044708dae
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

연결된 노트

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