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Bicarbonate Ion → 2-[(2-Phenylimidazol-1-yl)methyl]-4-[3-(3,5-dichlorobenzoylamino)phenyl]-3-oxo-3,4-dihydropyrido[2,3-b]pyrazine

HRID 162252
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HRID 162252 반응식
[Br:1][CH2:2][c:3]1[n:4][c:5]2[c:6]([n:7](-[c:10]3[cH:11][c:12]([NH:16][C:17]([c:18]4[cH:19][c:20]([Cl:25])[cH:21][c:22]([Cl:24])[cH:23]4)=[O:26])[cH:13][cH:14][cH:15]3)[c:8]1=[O:9])[n:27][cH:28][cH:29][cH:30]2.[CH3:47][N:48]([CH3:49])[CH:50]=[O:51].[Na+:42].[OH:43][C:44](=[O:45])[O-:46].[c:31]1(-[c:37]2[nH:38][cH:39][cH:40][n:41]2)[cH:32][cH:33][cH:34][cH:35][cH:36]1>>[CH2:2]([c:3]1[n:4][c:5]2[c:6]([n:7](-[c:10]3[cH:11][c:12]([NH:16][C:17]([c:18]4[cH:19][c:20]([Cl:25])[cH:21][c:22]([Cl:24])[cH:23]4)=[O:26])[cH:13][cH:14][cH:15]3)[c:8]1=[O:9])[n:27][cH:28][cH:29][cH:30]2)[n:41]1[c:37](-[c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[n:38][cH:39][cH:40]1
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반응물 5

HCID 769Bicarbonate IonHCID 923Sodium IonHCID 6228DimethylformamideHCID 695912-PhenylimidazoleHCID 227245262-Bromomethyl-4-[3-(3,5-dichlorobenzoylamino)phenyl]-3-oxo-3,4-dihydropyrido[2,3-b]pyrazine

생성물 1

HCID 22724282
2-[(2-Phenylimidazol-1-yl)methyl]-4-[3-(3,5-dichlorobenzoylamino)phenyl]-3-oxo-3,4-dihydropyrido[2,3-b]pyrazine

출처 및 근거

ORD 기록
ord-4be774a545fe4869aeb95d7dbc5f2450
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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