Hydrochloric Acid → N-[1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]-2-(dipropylamino)-6-methylpyridine-4-carboxamide

HRID 153456

반응식

HRID 153456 반응식
[C:19]([n:20]1[cH:21][cH:22][n:23][cH:24]1)([n:25]1[cH:26][cH:27][n:28][cH:29]1)=[O:30].[CH2:2]([CH2:3][CH3:4])[N:5]([c:6]1[cH:7][c:8]([C:9](=[O:10])[OH:11])[cH:12][c:13]([CH3:15])[n:14]1)[CH2:16][CH2:17][CH3:18].[CH2:57]1[O:58][CH2:59][CH2:60][CH2:61]1.[CH3:62][CH2:63][N:64]([CH2:65][CH3:66])[CH2:67][CH3:68].[Cl:69][CH2:70][Cl:71].[ClH:1].[ClH:31].[ClH:32].[NH2:33][CH:34]([CH:35]([CH2:36][NH:37][CH2:38][c:39]1[cH:40][c:41]([CH2:45][CH3:46])[cH:42][cH:43][cH:44]1)[OH:47])[CH2:48][c:49]1[cH:50][c:51]([F:56])[cH:52][c:53]([F:55])[cH:54]1>>[CH2:2]([CH2:3][CH3:4])[N:5]([c:6]1[cH:7][c:8]([C:9](=[O:11])[NH:33][CH:34]([CH:35]([CH2:36][NH:37][CH2:38][c:39]2[cH:40][c:41]([CH2:45][CH3:46])[cH:42][cH:43][cH:44]2)[OH:47])[CH2:48][c:49]2[cH:50][c:51]([F:56])[cH:52][c:53]([F:55])[cH:54]2)[cH:12][c:13]([CH3:15])[n:14]1)[CH2:16][CH2:17][CH3:18]

참가 물질

8

반응물 7

HCID 313Hydrochloric Acid3회HCID 6344DichloromethaneHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 682631,1'-CarbonyldiimidazoleHCID 210854582-(Dipropylamino)-6-methylpyridine-4-carboxylic acidHCID 218657313-Amino-4-(3,5-difluoro-phenyl)-1-(3-ethyl-benzylamino)-butan-2-ol

생성물 1

HCID 21086563N-[1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]-2-(dipropylamino)-6-methylpyridine-4-carboxamide

출처 및 근거

ORD 기록
ord-c70d08ac9b7d4b768e81f5b099b5d330
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

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