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Sodium Ion → ({2-Benzyloxycarbonylmethoxy-4-[2,7-difluoro-9-hydroxy-3,6-bis-(2-methoxyethoxymethoxy)-9H-xanthen-9-yl]-phenyl}-tert-butoxycarbonylmethyl-amino)-acetic acid tert-butyl ester

HRID 97745
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HRID 97745 반응식
[Br:58][CH2:59][C:60](=[O:61])[O:62][CH2:63][c:64]1[cH:65][cH:66][cH:67][cH:68][cH:69]1.[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH2:7][N:8]([c:9]1[c:10]([OH:46])[cH:11][c:12]([C:15]2([OH:45])[c:16]3[cH:17][c:18]([F:44])[c:19]([O:37][CH2:38][O:39][CH2:40][CH2:41][O:42][CH3:43])[cH:20][c:21]3[O:22][c:23]3[cH:24][c:25]([O:30][CH2:31][O:32][CH2:33][CH2:34][O:35][CH3:36])[c:26]([F:29])[cH:27][c:28]32)[cH:13][cH:14]1)[CH2:47][C:48](=[O:49])[O:50][C:51]([CH3:52])([CH3:53])[CH3:54])=[O:55].[H-:56].[Na+:57].[O:70]=[CH:71][N:72]([CH3:73])[CH3:74]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH2:7][N:8]([c:9]1[c:10]([O:46][CH2:59][C:60](=[O:61])[O:62][CH2:63][c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)[cH:11][c:12]([C:15]2([OH:45])[c:16]3[cH:17][c:18]([F:44])[c:19]([O:37][CH2:38][O:39][CH2:40][CH2:41][O:42][CH3:43])[cH:20][c:21]3[O:22][c:23]3[cH:24][c:25]([O:30][CH2:31][O:32][CH2:33][CH2:34][O:35][CH3:36])[c:26]([F:29])[cH:27][c:28]32)[cH:13][cH:14]1)[CH2:47][C:48](=[O:49])[O:50][C:51]([CH3:52])([CH3:53])[CH3:54])=[O:55]
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 923Sodium IonHCID 6228DimethylformamideHCID 62576Benzyl bromoacetateHCID 166653HydrideHCID 68638322(tert-Butoxycarbonylmethyl-{4-[2,7-difluoro-9-hydroxy-3,6-bis-(2-methoxyethoxymethoxy)-9H-xanthen-9-yl]-2-hydroxy-phenyl}-amino)-acetic acid tert-butyl ester

생성물 1

HCID 86596787
({2-Benzyloxycarbonylmethoxy-4-[2,7-difluoro-9-hydroxy-3,6-bis-(2-methoxyethoxymethoxy)-9H-xanthen-9-yl]-phenyl}-tert-butoxycarbonylmethyl-amino)-acetic acid tert-butyl ester

출처 및 근거

ORD 기록
ord-c6c791798fda4a00b47cfc15e7359537
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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