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Hydrochloric Acid → N-{trans-4-[2-(4-Thieno[2,3-c]pyridin-7-yl-piperazin-1-yl)-ethyl]-cyclohexyl}-propionamide

HRID 687313
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HRID 687313 반응식
[B-:42]([F:43])([F:44])([F:45])[F:46].[CH3:28][CH2:29][C:30]([OH:31])=[O:32].[CH:33]([N:34]([CH2:35][CH3:36])[CH:37]([CH3:38])[CH3:39])([CH3:40])[CH3:41].[ClH:1].[ClH:2].[ClH:3].[Na+:68].[O-:64][C:65]([OH:66])=[O:67].[O:69]=[CH:70][N:71]([CH3:72])[CH3:73].[n:47]1([O:48][C:49]([N:50]([CH3:51])[CH3:52])=[N+:53]([CH3:54])[CH3:55])[c:56]2[cH:57][cH:58][cH:59][cH:60][c:61]2[n:62][n:63]1.[s:4]1[cH:5][cH:6][c:7]2[c:8]1[c:9]([N:13]1[CH2:14][CH2:15][N:16]([CH2:19][CH2:20][CH:21]3[CH2:22][CH2:23][CH:24]([NH2:27])[CH2:25][CH2:26]3)[CH2:17][CH2:18]1)[n:10][cH:11][cH:12]2>>[s:4]1[cH:5][cH:6][c:7]2[c:8]1[c:9]([N:13]1[CH2:14][CH2:15][N:16]([CH2:19][CH2:20][CH:21]3[CH2:22][CH2:23][CH:24]([NH:27][C:30]([CH2:29][CH3:28])=[O:31])[CH2:25][CH2:26]3)[CH2:17][CH2:18]1)[n:10][cH:11][cH:12]2
참가 물질출처 및 근거반응 노트

참가 물질

10

반응물 9

HCID 313Hydrochloric Acid3회HCID 769Bicarbonate IonHCID 923Sodium IonHCID 1032Propionic AcidHCID 6228DimethylformamideHCID 26255TetrafluoroborateHCID 81531Diisopropylethylamine
HCID 130500
O-benzotriazol-1-yl-tetramethyluronium
HCID 580456994-[2-(4-Thieno[2,3-c]pyridin-7-ylpiperazin-1-yl)ethyl]cyclohexan-1-amine

생성물 1

HCID 54765688N-{trans-4-[2-(4-Thieno[2,3-c]pyridin-7-yl-piperazin-1-yl)-ethyl]-cyclohexyl}-propionamide

출처 및 근거

ORD 기록
ord-5adeba43b7b642dea435066a3e80ac6b
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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