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Methanol → 2-Amino-3-[5-chloro-2-[2-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-oxoethoxy]phenyl]propanoic acid

HRID 109702
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HRID 109702 반응식
[CH2:1]([CH3:2])[O:3][C:4]([CH:5]([CH2:6][c:7]1[c:8]([O:14][CH2:15][C:16](=[O:17])[N:18]2[CH:19]([CH3:33])[CH2:20][N:21]([CH2:25][c:26]3[cH:27][cH:28][c:29]([F:32])[cH:30][cH:31]3)[CH:22]([CH3:24])[CH2:23]2)[cH:9][cH:10][c:11]([Cl:13])[cH:12]1)[NH2:34])=[O:35].[CH3:44][OH:45].[Li+:38].[O:39]1[CH2:40][CH2:41][CH2:42][CH2:43]1.[OH-:37].[OH2:36].[OH2:46]>>[O:3]=[C:4]([CH:5]([CH2:6][c:7]1[c:8]([O:14][CH2:15][C:16](=[O:17])[N:18]2[CH:19]([CH3:33])[CH2:20][N:21]([CH2:25][c:26]3[cH:27][cH:28][c:29]([F:32])[cH:30][cH:31]3)[CH:22]([CH3:24])[CH2:23]2)[cH:9][cH:10][c:11]([Cl:13])[cH:12]1)[NH2:34])[OH:35]
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참가 물질

7

반응물 6

HCID 887MethanolHCID 961HydroxideHCID 962Water2회HCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 178472692HCID 178472692, 화합물

생성물 1

HCID 10227533
2-Amino-3-[5-chloro-2-[2-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-oxoethoxy]phenyl]propanoic acid

출처 및 근거

ORD 기록
ord-6dafec19c2bd4d43bd26e82ab098346c
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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