Hydrochloric Acid → 3-amino-5-(4-fluorophenyl)-N-{2-[4-(1-pyrrolidin-1-ylethyl)phenyl]ethyl}thiophene-2-carboxamide
반응식
[CH3:55][N:56]([CH3:57])[CH2:58][CH2:59][CH2:60][N:61]=[C:62]=[N:63][CH2:64][CH3:65].[CH3:66][CH2:67][O:68][C:69](=[O:70])[CH3:71].[CH:45]([N:46]([CH2:47][CH3:48])[CH:49]([CH3:50])[CH3:51])([CH3:52])[CH3:53].[ClH:17].[ClH:18].[ClH:54].[N:19]1([CH:24]([CH3:25])[c:26]2[cH:27][cH:28][c:29]([CH2:32][CH2:33][NH2:34])[cH:30][cH:31]2)[CH2:20][CH2:21][CH2:22][CH2:23]1.[NH2:1][c:2]1[c:3]([C:14](=[O:15])[OH:16])[s:4][c:5](-[c:7]2[cH:8][cH:9][c:10]([F:13])[cH:11][cH:12]2)[cH:6]1.[O:72]=[CH:73][N:74]([CH3:75])[CH3:76].[OH:35][n:36]1[c:37]2[cH:38][cH:39][cH:40][cH:41][c:42]2[n:43][n:44]1>>[NH2:1][c:2]1[c:3]([C:14](=[O:16])[NH:34][CH2:33][CH2:32][c:29]2[cH:28][cH:27][c:26]([CH:24]([N:19]3[CH2:20][CH2:21][CH2:22][CH2:23]3)[CH3:25])[cH:31][cH:30]2)[s:4][c:5](-[c:7]2[cH:8][cH:9][c:10]([F:13])[cH:11][cH:12]2)[cH:6]1참가 물질
9
반응물 8
생성물 1
출처 및 근거
- ORD 기록
- ord-60787f0af6a143878fb73297338a15fb
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
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