Bis(4-chlorophenyl)acetic acid → N-{3-[1-(3-{[bis(4-chlorophenyl)acetyl]amino}propyl)-4-piperidinyl]phenyl}-2-methylpropanamide
반응식
[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:35][C:36]([CH:37]([CH3:38])[CH3:39])=[O:40])[cH:32][cH:33][cH:34]2)[CH2:27][CH2:28]1.[OH:1][C:2](=[O:3])[CH:4]([c:5]1[cH:6][cH:7][c:8]([Cl:9])[cH:10][cH:11]1)[c:12]1[cH:13][cH:14][c:15]([Cl:16])[cH:17][cH:18]1>>[C:2](=[O:3])([CH:4]([c:5]1[cH:6][cH:7][c:8]([Cl:9])[cH:10][cH:11]1)[c:12]1[cH:13][cH:14][c:15]([Cl:16])[cH:17][cH:18]1)[NH:19][CH2:20][CH2:21][CH2:22][N:23]1[CH2:24][CH2:25][CH:26]([c:29]2[cH:30][c:31]([NH:35][C:36]([CH:37]([CH3:38])[CH3:39])=[O:40])[cH:32][cH:33][cH:34]2)[CH2:27][CH2:28]1참가 물질
3
출처 및 근거
- ORD 기록
- ord-2e72c91c80ae4d06beb3baad7a3397f2
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
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