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Dimethylformamide → Ethyl 2-[4-[2-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-4-[1,3-benzodioxol-5-ylsulfonyl(2-methylpropyl)amino]-3-hydroxybutyl]phenoxy]acetate

HRID 199680
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HRID 199680 반응식
[Br:48][CH2:49][C:50](=[O:51])[O:52][CH2:53][CH3:54].[C:42](=[O:43])([O-:44])[O-:45].[CH3:55][N:56]([CH3:57])[CH:58]=[O:59].[CH3:60][CH2:61][O:62][C:63](=[O:64])[CH3:65].[Cs+:46].[Cs+:47].[O:1]1[CH2:2][O:3][c:4]2[c:5]1[cH:6][cH:7][c:8]([S:10](=[O:11])(=[O:12])[N:13]([CH2:14][CH:15]([CH:16]([CH2:17][c:18]1[cH:19][cH:20][c:21]([OH:24])[cH:22][cH:23]1)[NH:25][C:26]([O:27][CH:28]1[CH2:29][O:30][CH:31]3[O:32][CH2:33][CH2:34][CH:35]13)=[O:36])[OH:37])[CH2:38][CH:39]([CH3:40])[CH3:41])[cH:9]2>>[O:1]1[CH2:2][O:3][c:4]2[c:5]1[cH:6][cH:7][c:8]([S:10](=[O:11])(=[O:12])[N:13]([CH2:14][CH:15]([CH:16]([CH2:17][c:18]1[cH:19][cH:20][c:21]([O:24][CH2:49][C:50](=[O:51])[O:52][CH2:53][CH3:54])[cH:22][cH:23]1)[NH:25][C:26]([O:27][CH:28]1[CH2:29][O:30][CH:31]3[O:32][CH2:33][CH2:34][CH:35]13)=[O:36])[OH:37])[CH2:38][CH:39]([CH3:40])[CH3:41])[cH:9]2
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 6228DimethylformamideHCID 7748Ethyl bromoacetateHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 104967Cesium cation2회HCID 207743092,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl N-[4-[1,3-benzodioxol-5-ylsulfonyl(2-methylpropyl)amino]-3-hydroxy-1-(4-hydroxyphenyl)butan-2-yl]carbamate

생성물 1

HCID 20774374Ethyl 2-[4-[2-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-4-[1,3-benzodioxol-5-ylsulfonyl(2-methylpropyl)amino]-3-hydroxybutyl]phenoxy]acetate

출처 및 근거

ORD 기록
ord-3e36f075a87a452585b557a4e9df46b5
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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