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Potassium Cation → N-(2,6-dichlorobenzoyl)-3-[2-(2,6-dichlorophenyl)-6-quinolyl]alanine

HRID 1558550
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HRID 1558550 반응식
[CH3:42][C:43]#[N:44].[Cl:1][c:2]1[c:3]([C:4](=[O:5])[NH:6][CH:7]([C:8](=[O:9])[O:10][CH3:11])[CH2:12][c:13]2[cH:14][c:15]3[cH:16][cH:17][c:18](-[c:23]4[c:24]([Cl:30])[cH:25][cH:26][cH:27][c:28]4[Cl:29])[n:19][c:20]3[cH:21][cH:22]2)[c:31]([Cl:35])[cH:32][cH:33][cH:34]1.[K+:41].[Na+:47].[OH-:46].[OH2:45].[S:36](=[O:37])(=[O:38])([OH:39])[O-:40]>>[Cl:1][c:2]1[c:3]([C:4](=[O:5])[NH:6][CH:7]([C:8](=[O:9])[OH:10])[CH2:12][c:13]2[cH:14][c:15]3[cH:16][cH:17][c:18](-[c:23]4[c:24]([Cl:30])[cH:25][cH:26][cH:27][c:28]4[Cl:29])[n:19][c:20]3[cH:21][cH:22]2)[c:31]([Cl:35])[cH:32][cH:33][cH:34]1
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반응물 7

HCID 813Potassium CationHCID 923Sodium IonHCID 961HydroxideHCID 962WaterHCID 6342AcetonitrileHCID 61778Sulfate, hydrogenHCID 10482608methyl N-(2,6-dichlorobenzoyl)-3-[2-(2,6-dichlorophenyl)-6-quinolyl]alaninate

생성물 1

HCID 10052832N-(2,6-dichlorobenzoyl)-3-[2-(2,6-dichlorophenyl)-6-quinolyl]alanine

출처 및 근거

ORD 기록
ord-ac2009ddac3746099cb6ebb90c4ea777
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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