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Hydrochloric Acid → 7-(4-methylphenyl)-N-[4-[[N-methyl-N-(tetrahydro-2H-pyran-4-yl)amino]methyl]phenyl]-2,3-dihydro-1-benzazepine-4-carboxamide

HRID 1143681
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인쇄 미리보기

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HRID 1143681 반응식
[C:40](=[O:41])([O-:42])[OH:43].[CH3:45][CH2:46][O:47][C:48](=[O:49])[CH3:50].[CH:1](=[O:2])[N:3]1[CH2:4][CH2:5][C:6]([C:21](=[O:22])[NH:23][c:24]2[cH:25][cH:26][c:27]([CH2:30][N:31]([CH:32]3[CH2:33][CH2:34][O:35][CH2:36][CH2:37]3)[CH3:38])[cH:28][cH:29]2)=[CH:7][c:8]2[c:9]1[cH:10][cH:11][c:12](-[c:14]1[cH:15][cH:16][c:17]([CH3:20])[cH:18][cH:19]1)[cH:13]2.[ClH:39].[Na+:44].[OH2:51]>>[NH:3]1[CH2:4][CH2:5][C:6]([C:21](=[O:22])[NH:23][c:24]2[cH:25][cH:26][c:27]([CH2:30][N:31]([CH:32]3[CH2:33][CH2:34][O:35][CH2:36][CH2:37]3)[CH3:38])[cH:28][cH:29]2)=[CH:7][c:8]2[c:9]1[cH:10][cH:11][c:12](-[c:14]1[cH:15][cH:16][c:17]([CH3:20])[cH:18][cH:19]1)[cH:13]2
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium IonHCID 962WaterHCID 8857Ethyl AcetateHCID 184726701-formyl-7-(4-methylphenyl)-N-[4-[[N-methyl-N-(tetrahydro-2H-pyran-4-yl)amino]methyl]phenyl]-2,3-dihydro-1-benzazepine-4-carboxamide

생성물 1

HCID 18472484
7-(4-methylphenyl)-N-[4-[[N-methyl-N-(tetrahydro-2H-pyran-4-yl)amino]methyl]phenyl]-2,3-dihydro-1-benzazepine-4-carboxamide

출처 및 근거

ORD 기록
ord-bc5b9883f70e4aed8918dce97b4de308
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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