N-(4-Phenylpiperidin-4-yl)acetamide → 5-[(1RS,2RS)-2-(3,4-Dichlorophenyl)-1-hydroxy-4-(4-acetamido-4-phenylpiperidino)butyl]-1-phenylpyrazole

HRID 1562919

반응식

HRID 1562919 반응식
[C:1](=[O:2])([CH3:3])[O:4][CH:5]([CH:6]([CH2:7][CH2:8][N:9]1[CH2:10][CH2:11][C:12]([c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)([NH:21][C:22]([CH3:23])=[O:24])[CH2:13][CH2:14]1)[c:25]1[cH:26][c:27]([Cl:32])[c:28]([Cl:31])[cH:29][cH:30]1)[c:33]1[cH:34][cH:35][n:36][n:37]1-[c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1.[C:44]([NH:45][C:46]1([c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)[CH2:53][CH2:54][NH:55][CH2:56][CH2:57]1)(=[O:58])[CH3:59].[C:60]([O:61][CH:62]([c:63]1[n:64](-[c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)[n:71][cH:72][cH:73]1)[CH:74]([c:75]1[cH:76][cH:77][c:78]([Cl:79])[c:80]([Cl:81])[cH:82]1)[CH2:83][CH:84]=[O:85])(=[O:86])[CH3:87]>>[OH:4][CH:5]([CH:6]([CH2:7][CH2:8][N:9]1[CH2:10][CH2:11][C:12]([c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)([NH:21][C:22]([CH3:23])=[O:24])[CH2:13][CH2:14]1)[c:25]1[cH:26][c:27]([Cl:32])[c:28]([Cl:31])[cH:29][cH:30]1)[c:33]1[cH:34][cH:35][n:36][n:37]1-[c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1

참가 물질

4

반응물 3

HCID 15886675N-(4-Phenylpiperidin-4-yl)acetamideHCID 189302775-[(1RS,2RS)-1-acetoxy-2-(3,4-dichlorophenyl)-4-oxobutyl]-1-phenylpyrazoleHCID 189302805-[(1RS,2RS)-1-Acetoxy-2-(3,4-dichlorophenyl)-4-(4-acetamido-4-phenylpiperidino)butyl]-1-phenylpyrazole

생성물 1

HCID 189303105-[(1RS,2RS)-2-(3,4-Dichlorophenyl)-1-hydroxy-4-(4-acetamido-4-phenylpiperidino)butyl]-1-phenylpyrazole

출처 및 근거

ORD 기록
ord-5b1f7414f0f54475b94e14f63e1c9ac6
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

연결된 노트

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