Toluene → 5-(4-Ethoxycarbonylpiperazin-1-yl)-4-[[5-(2-ethoxy-2-oxoethoxy)-1-phenylpyrazole-3-carbonyl]amino]-5-oxopentanoic acid
반응식
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[N:6]1[CH2:7][CH2:8][N:9]([C:12]([CH:13]([CH2:14][CH2:15][C:16](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22])[NH:23][C:24](=[O:25])[c:26]2[n:27][n:28](-[c:38]3[cH:39][cH:40][cH:41][cH:42][cH:43]3)[c:29]([O:31][CH2:32][C:33](=[O:34])[O:35][CH2:36][CH3:37])[cH:30]2)=[O:44])[CH2:10][CH2:11]1.[CH3:45][c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1.[Cl:52][CH2:53][Cl:54].[F:55][C:56]([F:57])([F:58])[C:59]([OH:60])=[O:61]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[N:6]1[CH2:7][CH2:8][N:9]([C:12]([CH:13]([CH2:14][CH2:15][C:16](=[O:17])[OH:18])[NH:23][C:24](=[O:25])[c:26]2[n:27][n:28](-[c:38]3[cH:39][cH:40][cH:41][cH:42][cH:43]3)[c:29]([O:31][CH2:32][C:33](=[O:34])[O:35][CH2:36][CH3:37])[cH:30]2)=[O:44])[CH2:10][CH2:11]1참가 물질
5
반응물 4
생성물 1
출처 및 근거
- ORD 기록
- ord-bdb0282036964105bd75f38d06a3f4ce
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
반응 노트
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