2,2-Bis(4-fluorophenyl)acetic acid → N-{3-[1-(3-{[bis(4-fluorophenyl)acetyl]amino}propyl)-4-piperidinyl]-4-fluorophenyl}-2-methylpropanamide

HRID 160000

반응식

HRID 160000 반응식
[F:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([C:9](=[O:10])[OH:11])[c:12]2[cH:13][cH:14][c:15]([F:18])[cH:16][cH:17]2)[cH:6][cH:7]1.[NH2:19][CH2:20][CH2:21][CH2:22][N:23]1[CH2:24][CH2:25][CH:26]([c:29]2[cH:30][c:31]([NH:36][C:37]([CH:38]([CH3:39])[CH3:40])=[O:41])[cH:32][cH:33][c:34]2[F:35])[CH2:27][CH2:28]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([C:9](=[O:11])[NH:19][CH2:20][CH2:21][CH2:22][N:23]2[CH2:24][CH2:25][CH:26]([c:29]3[cH:30][c:31]([NH:36][C:37]([CH:38]([CH3:39])[CH3:40])=[O:41])[cH:32][cH:33][c:34]3[F:35])[CH2:27][CH2:28]2)[c:12]2[cH:13][cH:14][c:15]([F:18])[cH:16][cH:17]2)[cH:6][cH:7]1

참가 물질

3

반응물 2

HCID 135116842,2-Bis(4-fluorophenyl)acetic acidHCID 21957238N-{3-[1-(3-aminopropyl)-4-piperidinyl]4-fluorophenyl}-2-methylpropanamide

생성물 1

HCID 9915565N-{3-[1-(3-{[bis(4-fluorophenyl)acetyl]amino}propyl)-4-piperidinyl]-4-fluorophenyl}-2-methylpropanamide

출처 및 근거

ORD 기록
ord-a11cffb9f70e406b8f6d8542216897c5
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

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