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Bicarbonate Ion → 6-[4-(Benzylcarbonylamino)benzyloxy]-2-[(N,N-dimethylamino)methyl]tetralin

HRID 210893
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HRID 210893 반응식
[C:39](=[O:40])([OH:41])[O-:42].[CH2:1]1[O:2][CH2:3][CH2:4][CH2:5]1.[CH3:44][CH2:45][O:46][C:47](=[O:48])[CH3:49].[NH2:16][c:17]1[cH:18][cH:19][c:20]([CH2:21][O:22][c:23]2[cH:24][c:25]3[c:30]([cH:31][cH:32]2)[CH2:29][CH:28]([CH2:33][N:34]([CH3:35])[CH3:36])[CH2:27][CH2:26]3)[cH:37][cH:38]1.[Na+:43].[c:6]1([CH2:12][C:13](=[O:14])[Cl:15])[cH:7][cH:8][cH:9][cH:10][cH:11]1.[cH:50]1[cH:51][cH:52][n:53][cH:54][cH:55]1>>[c:6]1([CH2:12][C:13](=[O:14])[NH:16][c:17]2[cH:18][cH:19][c:20]([CH2:21][O:22][c:23]3[cH:24][c:25]4[c:30]([cH:31][cH:32]3)[CH2:29][CH:28]([CH2:33][N:34]([CH3:35])[CH3:36])[CH2:27][CH2:26]4)[cH:37][cH:38]2)[cH:7][cH:8][cH:9][cH:10][cH:11]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 769Bicarbonate IonHCID 923Sodium IonHCID 1049PyridineHCID 7679Phenylacetyl chlorideHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 219397226-(4-Aminobenzyloxy)-2-[(N,N-dimethylamino)methyl]tetralin

생성물 1

HCID 219400516-[4-(Benzylcarbonylamino)benzyloxy]-2-[(N,N-dimethylamino)methyl]tetralin

출처 및 근거

ORD 기록
ord-d46c92f3deeb456a870074975d6bfc57
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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