Hydrochloric Acid → 1-[2-[3-(3,4-Dichloro-phenyl)-1-(3,4,5-trimethoxy-benzyl)-pyrrolidin-3-yl]-ethyl]-4-phenyl-piperidine-4-carboxylic acid amide
반응식
[C:46]([BH3-:47])#[N:48].[CH3:17][O:18][c:19]1[cH:20][c:21]([CH2:22][N:23]2[CH2:24][C:25]([CH2:28][CH:29]=[O:30])([c:31]3[cH:32][c:33]([Cl:38])[c:34]([Cl:37])[cH:35][cH:36]3)[CH2:26][CH2:27]2)[cH:39][c:40]([O:44][CH3:45])[c:41]1[O:42][CH3:43].[CH3:57][OH:58].[CH3:59][CH:60]([CH3:61])[O-:62].[CH3:64][CH:65]([CH3:66])[O-:67].[CH3:68][CH:69]([CH3:70])[O-:71].[CH3:72][CH:73]([CH3:74])[O-:75].[Cl:76][CH2:77][Cl:78].[ClH:1].[K+:56].[Na+:49].[O:50]1[CH2:51][CH2:52][CH2:53][CH2:54]1.[OH-:55].[Ti+4:63].[c:2]1([C:8]2([C:14](=[O:15])[NH2:16])[CH2:9][CH2:10][NH:11][CH2:12][CH2:13]2)[cH:3][cH:4][cH:5][cH:6][cH:7]1>>[c:2]1([C:8]2([C:14](=[O:15])[NH2:16])[CH2:9][CH2:10][N:11]([CH2:29][CH2:28][C:25]3([c:31]4[cH:32][c:33]([Cl:38])[c:34]([Cl:37])[cH:35][cH:36]4)[CH2:24][N:23]([CH2:22][c:21]4[cH:20][c:19]([O:18][CH3:17])[c:41]([O:42][CH3:43])[c:40]([O:44][CH3:45])[cH:39]4)[CH2:27][CH2:26]3)[CH2:12][CH2:13]2)[cH:3][cH:4][cH:5][cH:6][cH:7]1참가 물질
13
반응물 12
생성물 1
출처 및 근거
- ORD 기록
- ord-beb535d090c742c58cebbe2c2572eae4
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
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