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Dimethylformamide → 5-{2-Amino-6-[3-(3-tert-butoxycarbonylaminopropoxy)phenylsulfanyl]pyrimidin-4-yl}-2-ethoxy-4-methylbenzoic acid methyl ester

HRID 200900
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HRID 200900 반응식
[C:30](=[O:31])([O-:32])[O-:33].[C:41]([CH3:42])([CH3:43])([CH3:44])[O:45][C:46]([NH:47][CH2:48][CH2:49][CH2:50][Br:51])=[O:52].[CH3:1][O:2][C:3]([c:4]1[c:5]([O:26][CH2:27][CH3:28])[cH:6][c:7]([CH3:25])[c:8](-[c:10]2[n:11][c:12]([NH2:24])[n:13][c:14]([S:16][c:17]3[cH:18][c:19]([OH:23])[cH:20][cH:21][cH:22]3)[cH:15]2)[cH:9]1)=[O:29].[CH3:36][N:37]([CH3:38])[CH:39]=[O:40].[CH3:53][CH2:54][O:55][C:56](=[O:57])[CH3:58].[Cs+:34].[Cs+:35]>>[CH3:1][O:2][C:3]([c:4]1[c:5]([O:26][CH2:27][CH3:28])[cH:6][c:7]([CH3:25])[c:8](-[c:10]2[n:11][c:12]([NH2:24])[n:13][c:14]([S:16][c:17]3[cH:18][c:19]([O:23][CH2:50][CH2:49][CH2:48][NH:47][C:46]([O:45][C:41]([CH3:42])([CH3:43])[CH3:44])=[O:52])[cH:20][cH:21][cH:22]3)[cH:15]2)[cH:9]1)=[O:29]
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7

반응물 6

HCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 104967Cesium cation2회HCID 4460490tert-butyl N-(3-bromopropyl)carbamateHCID 592246545-[2-Amino-6-(3-hydroxyphenylsulfanyl)pyrimidin-4-yl]-2-ethoxy-4-methylbenzoic acid methyl ester

생성물 1

HCID 59224648
5-{2-Amino-6-[3-(3-tert-butoxycarbonylaminopropoxy)phenylsulfanyl]pyrimidin-4-yl}-2-ethoxy-4-methylbenzoic acid methyl ester

출처 및 근거

ORD 기록
ord-35cbace5372249a08614287361b099c6
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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