Methyl 2-amino-2-ethylbutanoate → 2-{[5-Butylamino-6-(2,2,2-trifluoro-ethoxy)-pyrazine-2-carbonyl]-amino}-2-ethyl-butyric acid methyl ester

HRID 1128551

반응식

HRID 1128551 반응식
[CH2:26]([CH2:27][CH2:28][CH3:29])[NH:30][c:31]1[n:32][cH:33][c:34]([C:43](=[O:44])[OH:45])[n:35][c:36]1[O:37][CH2:38][C:39]([F:40])([F:41])[F:42].[CH3:46][O:47][C:48]([C:49]([CH2:50][CH3:51])([CH2:52][CH3:53])[NH2:54])=[O:55].[OH:1][CH2:2][CH:3]([NH:4][C:5]([c:6]1[cH:7][n:8][c:9]([N:10]2[CH2:11][CH2:12][CH2:13][CH2:14]2)[c:15]([O:16][CH2:17][CH2:18][CH3:19])[n:20]1)=[O:21])[CH2:22][CH:23]([CH3:24])[CH3:25]>>[CH2:26]([CH2:27][CH2:28][CH3:29])[NH:30][c:31]1[n:32][cH:33][c:34]([C:43](=[O:45])[NH:54][C:49]([C:48]([O:47][CH3:46])=[O:55])([CH2:50][CH3:51])[CH2:52][CH3:53])[n:35][c:36]1[O:37][CH2:38][C:39]([F:40])([F:41])[F:42]

참가 물질

4

반응물 3

HCID 13412527Methyl 2-amino-2-ethylbutanoateHCID 685666105-Butylamino-6-(2,2,2-trifluoro-ethoxy)-pyrazine-2-carboxylic acidHCID 178458939HCID 178458939, 화합물

생성물 1

HCID 248319032-{[5-Butylamino-6-(2,2,2-trifluoro-ethoxy)-pyrazine-2-carbonyl]-amino}-2-ethyl-butyric acid methyl ester

출처 및 근거

ORD 기록
ord-c1197cb7edc644c3859ce572d90a79e2
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

연결된 노트

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