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Bicarbonate Ion → 1-(4-{2-[[1-(3,5-Dichloro-benzyl)-1H-imidazol-2-ylmethyl]-(3-fluoro-benzyl)-amino]-ethyl}-piperazin-1-yl)-ethanone

HRID 1213526
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HRID 1213526 반응식
[CH3:33][C:34](=[O:35])[O:36][C:37]([CH3:38])=[O:39].[Cl:1][c:2]1[cH:3][c:4]([CH2:5][n:6]2[c:7]([CH2:11][N:12]([CH2:13][CH2:14][N:15]3[CH2:16][CH2:17][NH:18][CH2:19][CH2:20]3)[CH2:21][c:22]3[cH:23][c:24]([F:28])[cH:25][cH:26][cH:27]3)[n:8][cH:9][cH:10]2)[cH:29][c:30]([Cl:32])[cH:31]1.[Cl:45][CH2:46][Cl:47].[Na+:44].[O-:40][C:41]([OH:42])=[O:43]>>[Cl:1][c:2]1[cH:3][c:4]([CH2:5][n:6]2[c:7]([CH2:11][N:12]([CH2:13][CH2:14][N:15]3[CH2:16][CH2:17][N:18]([C:34]([CH3:33])=[O:35])[CH2:19][CH2:20]3)[CH2:21][c:22]3[cH:23][c:24]([F:28])[cH:25][cH:26][cH:27]3)[n:8][cH:9][cH:10]2)[cH:29][c:30]([Cl:32])[cH:31]1
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참가 물질

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반응물 5

HCID 769Bicarbonate IonHCID 923Sodium IonHCID 6344DichloromethaneHCID 7918Acetic AnhydrideHCID 11949835[1-(3,5-dichloro-benzyl)-1H-imidazol-2-ylmethyl]-(3-fluoro-benzyl)-(2-piperazin-1-yl-ethyl)-amine

생성물 1

HCID 11955361
1-(4-{2-[[1-(3,5-Dichloro-benzyl)-1H-imidazol-2-ylmethyl]-(3-fluoro-benzyl)-amino]-ethyl}-piperazin-1-yl)-ethanone

출처 및 근거

ORD 기록
ord-31f906ad362647ca9f64143117d5d732
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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