beta-Alaninamide → N-(2-Carbamoyl-ethyl)-2,5-dichloro-4-[3-(4-cyclopropyl-3,4-dihydro-2H-quinoxaline-1-carbonyl)-pyridin-4-yloxy]-benzamide

HRID 1236094

반응식

HRID 1236094 반응식
[Cl:1][c:2]1[c:3]([C:4](=[O:5])[NH:6][CH2:7][CH2:8][C:9](=[O:10])[OH:11])[cH:12][c:13]([Cl:38])[c:14]([O:16][c:17]2[c:18]([C:23](=[O:24])[N:25]3[CH2:26][CH2:27][N:28]([CH:35]4[CH2:36][CH2:37]4)[c:29]4[cH:30][cH:31][cH:32][cH:33][c:34]43)[cH:19][n:20][cH:21][cH:22]2)[cH:15]1.[NH2:39][CH2:40][CH2:41][C:42]([NH2:43])=[O:44]>>[Cl:1][c:2]1[c:3]([C:4](=[O:5])[NH:6][CH2:7][CH2:8][C:9](=[O:10])[NH2:39])[cH:12][c:13]([Cl:38])[c:14]([O:16][c:17]2[c:18]([C:23](=[O:24])[N:25]3[CH2:26][CH2:27][N:28]([CH:35]4[CH2:36][CH2:37]4)[c:29]4[cH:30][cH:31][cH:32][cH:33][c:34]43)[cH:19][n:20][cH:21][cH:22]2)[cH:15]1

참가 물질

3

반응물 2

HCID 192802beta-AlaninamideHCID 533122813-{2,5-Dichloro-4-[3-(4-cyclopropyl-3,4-dihydro-2H-quinoxaline-1-carbonyl)-pyridin-4-yloxy]-benzoylamino}-propionic acid

생성물 1

HCID 53311271N-(2-Carbamoyl-ethyl)-2,5-dichloro-4-[3-(4-cyclopropyl-3,4-dihydro-2H-quinoxaline-1-carbonyl)-pyridin-4-yloxy]-benzamide

출처 및 근거

ORD 기록
ord-c10662c5000f4c9488e4b92519bf2d8c
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

연결된 노트

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