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Potassium Cation → [3-[[Butyl[1-(6-chlorobenzothiazole-2-yl)pyrrolidine-3-yl]amino]methyl]phenyl]acetic acid methyl ester

HRID 152600
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HRID 152600 반응식
[C:34](=[O:35])([O-:36])[O-:37].[CH3:1][O:2][C:3]([CH2:4][c:5]1[cH:6][c:7]([CH2:11][NH:12][CH:13]2[CH2:14][N:15]([c:18]3[s:19][c:20]4[c:21]([n:22]3)[cH:23][cH:24][c:25]([Cl:27])[cH:26]4)[CH2:16][CH2:17]2)[cH:8][cH:9][cH:10]1)=[O:28].[CH3:40][N:41]([CH3:42])[CH:43]=[O:44].[I:29][CH2:30][CH2:31][CH2:32][CH3:33].[K+:38].[K+:39].[OH2:45]>>[CH3:1][O:2][C:3]([CH2:4][c:5]1[cH:6][c:7]([CH2:11][N:12]([CH:13]2[CH2:14][N:15]([c:18]3[s:19][c:20]4[c:21]([n:22]3)[cH:23][cH:24][c:25]([Cl:27])[cH:26]4)[CH2:16][CH2:17]2)[CH2:30][CH2:31][CH2:32][CH3:33])[cH:8][cH:9][cH:10]1)=[O:28]
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반응물 6

HCID 813Potassium Cation2회HCID 962WaterHCID 6228DimethylformamideHCID 10962Butyl iodideHCID 19660Carbonate IonHCID 16117699[3-[[1-(6-Chlorobenzothiazole-2-yl)pyrrolidine-3-ylamino]methyl]phenyl]acetic acid methyl ester

생성물 1

HCID 57966119
[3-[[Butyl[1-(6-chlorobenzothiazole-2-yl)pyrrolidine-3-yl]amino]methyl]phenyl]acetic acid methyl ester

출처 및 근거

ORD 기록
ord-508fb15daadf4374b9ff0f8365b627ca
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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