Hydrochloric Acid → [1-Benzyl-4-[[3,5-bis(trifluoromethyl)phenyl]methylamino]pyrrolidin-2-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone

HRID 1126655

반응식

HRID 1126655 반응식
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH:9]([C:29](=[O:30])[OH:31])[CH2:10][CH:11]([NH:13][CH2:14][c:15]2[cH:16][c:17]([C:25]([F:26])([F:27])[F:28])[cH:18][c:19]([C:21]([F:22])([F:23])[F:24])[cH:20]2)[CH2:12]1.[CH2:33]([N:34]=[C:35]=[N:36][CH2:37][CH2:38][CH2:39][N:40]([CH3:41])[CH3:42])[CH3:43].[CH3:73][CH2:74][N:75]([CH2:76][CH3:77])[CH2:78][CH3:79].[Cl:70][CH2:71][Cl:72].[ClH:32].[F:54][C:55]([c:56]1[cH:57][c:58]([N:62]2[CH2:63][CH2:64][NH:65][CH2:66][CH2:67]2)[cH:59][cH:60][cH:61]1)([F:68])[F:69].[OH:44][n:45]1[c:46]2[cH:47][cH:48][cH:49][cH:50][c:51]2[n:52][n:53]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH:9]([C:29](=[O:31])[N:65]2[CH2:64][CH2:63][N:62]([c:58]3[cH:57][c:56]([C:55]([F:54])([F:68])[F:69])[cH:61][cH:60][cH:59]3)[CH2:67][CH2:66]2)[CH2:10][CH:11]([NH:13][CH2:14][c:15]2[cH:16][c:17]([C:25]([F:26])([F:27])[F:28])[cH:18][c:19]([C:21]([F:22])([F:23])[F:24])[cH:20]2)[CH2:12]1

참가 물질

8

반응물 7

HCID 313Hydrochloric AcidHCID 42961-(3-(Trifluoromethyl)phenyl)piperazineHCID 6344DichloromethaneHCID 8471TriethylamineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 866253011-Benzyl-4-(3,5-bis-trifluoromethyl-benzylamino)-pyrrolidine-2-carboxylic acid

생성물 1

HCID 87550005[1-Benzyl-4-[[3,5-bis(trifluoromethyl)phenyl]methylamino]pyrrolidin-2-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone

출처 및 근거

ORD 기록
ord-04955b66eb7c4814932089e8aa66e16f
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

연결된 노트

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