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Sodium Ion → 5-chloro-1-{1-[3-(2-oxo-3(2H)-benzoxazolyl)propyl]-4-piperidinyl}-1,3-dihydro-2H-benzimidazol-2-one

HRID 189937
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HRID 189937 반응식
[CH3:38][CH:39]([CH3:40])[CH2:41][C:42](=[O:43])[CH3:44].[Cl:15][c:16]1[cH:17][c:18]2[c:19]([n:20]([CH:24]3[CH2:25][CH2:26][NH:27][CH2:28][CH2:29]3)[c:21](=[O:23])[nH:22]2)[cH:30][cH:31]1.[Cl:1][CH2:2][CH2:3][CH2:4][n:5]1[c:6](=[O:14])[o:7][c:8]2[c:9]1[cH:10][cH:11][cH:12][cH:13]2.[Na+:32].[Na+:33].[O-:34][C:35](=[O:36])[O-:37].[OH2:45]>>[CH2:2]([CH2:3][CH2:4][n:5]1[c:6](=[O:14])[o:7][c:8]2[c:9]1[cH:10][cH:11][cH:12][cH:13]2)[N:27]1[CH2:26][CH2:25][CH:24]([n:20]2[c:19]3[c:18]([cH:17][c:16]([Cl:15])[cH:31][cH:30]3)[nH:22][c:21]2=[O:23])[CH2:29][CH2:28]1
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반응물 6

HCID 923Sodium Ion2회HCID 962WaterHCID 7909Methyl Isobutyl KetoneHCID 19660Carbonate IonHCID 1046075-Chloro-1,3-dihydro-1-(4-piperidinyl)-2H-benzimidazol-2-oneHCID 100360722(3H)-Benzoxazolone, 3-(3-chloropropyl)-

생성물 1

HCID 20385563
5-chloro-1-{1-[3-(2-oxo-3(2H)-benzoxazolyl)propyl]-4-piperidinyl}-1,3-dihydro-2H-benzimidazol-2-one

출처 및 근거

ORD 기록
ord-d26dc2f6eda748088ef9f7cea1485a4f
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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