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Bicarbonate Ion → 8-(2-Chloro-6-fluoro-3,5-dimethoxy-phenyl)-quinoxaline-5-carboxylic acid [5-(3-oxo-piperazin-1-ylmethyl)-pyridin-2-yl]-amide

HRID 2329642
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HRID 2329642 반응식
[CH2:1]([O:2][C:4](=[O:5])[c:6]1[c:7]2[n:8][cH:9][cH:10][n:11][c:12]2[c:13](-[c:16]2[c:17]([Cl:27])[c:18]([O:25][CH3:26])[cH:19][c:20]([O:23][CH3:24])[c:21]2[F:22])[cH:14][cH:15]1)[CH3:3].[CH3:43][Al:44]([CH3:45])[CH3:46].[Cl:52][CH2:53][Cl:54].[NH2:28][c:29]1[cH:30][cH:31][c:32]([CH2:35][N:36]2[CH2:37][C:38](=[O:42])[NH:39][CH2:40][CH2:41]2)[cH:33][n:34]1.[Na+:51].[O-:47][C:48]([OH:49])=[O:50]>>[C:4](=[O:5])([c:6]1[c:7]2[n:8][cH:9][cH:10][n:11][c:12]2[c:13](-[c:16]2[c:17]([Cl:27])[c:18]([O:25][CH3:26])[cH:19][c:20]([O:23][CH3:24])[c:21]2[F:22])[cH:14][cH:15]1)[NH:28][c:29]1[cH:30][cH:31][c:32]([CH2:35][N:36]2[CH2:37][C:38](=[O:42])[NH:39][CH2:40][CH2:41]2)[cH:33][n:34]1
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참가 물질

7

반응물 6

HCID 769Bicarbonate IonHCID 923Sodium IonHCID 6344DichloromethaneHCID 16682925TrimethylaluminumHCID 621833814-[(6-Aminopyridin-3-yl)methyl]piperazin-2-oneHCID 866411468-(2-Chloro-6-fluoro-3,5-dimethoxy-phenyl)-quinoxaline-5-carboxylic acid ethyl ester

생성물 1

HCID 59292862
8-(2-Chloro-6-fluoro-3,5-dimethoxy-phenyl)-quinoxaline-5-carboxylic acid [5-(3-oxo-piperazin-1-ylmethyl)-pyridin-2-yl]-amide

출처 및 근거

ORD 기록
ord-73f7e8e6e378421a812a388048ad513d
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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