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Hydrochloric Acid → [5-(4-Isopropyl-piperazine-1-carbonyl)-1H-indol-2-yl]-(4-methoxy-piperidin-1-yl)-methanone

HRID 206114
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HRID 206114 반응식
[B-:25]([F:26])([F:27])([F:28])[F:29].[CH3:47][O:48][CH:49]1[CH2:50][CH2:51][NH:52][CH2:53][CH2:54]1.[CH3:64][N:65]([CH3:66])[CH:67]=[O:68].[CH:1]([CH3:2])([CH3:3])[N:4]1[CH2:5][CH2:6][N:7]([C:10](=[O:11])[c:12]2[cH:13][c:14]3[cH:15][c:16]([C:21](=[O:22])[OH:23])[nH:17][c:18]3[cH:19][cH:20]2)[CH2:8][CH2:9]1.[CH:55]([N:56]([CH2:57][CH3:58])[CH:59]([CH3:60])[CH3:61])([CH3:62])[CH3:63].[ClH:24].[n:30]1([O:31][C:32]([N:33]([CH3:34])[CH3:35])=[N+:36]([CH3:37])[CH3:38])[c:39]2[cH:40][cH:41][cH:42][cH:43][c:44]2[n:45][n:46]1>>[CH:1]([CH3:2])([CH3:3])[N:4]1[CH2:5][CH2:6][N:7]([C:10](=[O:11])[c:12]2[cH:13][c:14]3[cH:15][c:16]([C:21](=[O:23])[N:52]4[CH2:51][CH2:50][CH:49]([O:48][CH3:47])[CH2:54][CH2:53]4)[nH:17][c:18]3[cH:19][cH:20]2)[CH2:8][CH2:9]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 26255TetrafluoroborateHCID 776664-MethoxypiperidineHCID 81531DiisopropylethylamineHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 685341205-(4-isopropyl-piperazine-1-carbonyl)-1H-indole-2-carboxylic acid

생성물 1

HCID 68683427[5-(4-Isopropyl-piperazine-1-carbonyl)-1H-indol-2-yl]-(4-methoxy-piperidin-1-yl)-methanone

출처 및 근거

ORD 기록
ord-775c1b50f2d94ff2ac9d6e0fc20faf7e
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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