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Hydrochloric Acid → Benzyl 4-(dimethylamino)-3-[8-[(2,3,4-trifluorophenyl)methoxy]octanoylamino]butanoate

HRID 1238422
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인쇄 미리보기

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HRID 1238422 반응식
[CH2:1]([OH:2])[CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][OH:10].[CH2:65]([c:66]1[cH:67][cH:68][cH:69][cH:70][cH:71]1)[O:72][C:73]([CH2:74][CH:75]([CH2:76][N:77]([CH3:78])[CH3:79])[NH2:80])=[O:81].[ClH:63].[ClH:64].[F:11][c:12]1[c:13]([F:14])[c:15]([F:16])[cH:17][cH:18][c:19]1[CH2:20][Br:21].[F:22][c:23]1[c:24]([CH2:25][O:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][OH:35])[cH:36][cH:37][c:38]([F:41])[c:39]1[F:40].[F:42][c:43]1[c:44]([F:45])[c:46]([F:47])[cH:48][cH:49][c:50]1[CH2:51][O:52][CH2:53][CH2:54][CH2:55][CH2:56][CH2:57][CH2:58][CH2:59][C:60]([OH:61])=[O:62]>>[F:22][c:23]1[c:24]([CH2:25][O:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][C:34](=[O:35])[NH:80][CH:75]([CH2:74][C:73]([O:72][CH2:65][c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)=[O:81])[CH2:76][N:77]([CH3:78])[CH3:79])[cH:36][cH:37][c:38]([F:41])[c:39]1[F:40]
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참가 물질

7

반응물 6

HCID 313Hydrochloric Acid2회HCID 694201,8-OctanediolHCID 27770501-(Bromomethyl)-2,3,4-trifluorobenzeneHCID 668748068-(2,3,4-Trifluoro-benzyloxy)-octan-1-olHCID 66874843Benzyl 3-amino-4-(dimethylamino)butanoateHCID 668751248-(2,3,4-Trifluoro-benzyloxy)-octanoic acid

생성물 1

HCID 66875596
Benzyl 4-(dimethylamino)-3-[8-[(2,3,4-trifluorophenyl)methoxy]octanoylamino]butanoate

출처 및 근거

ORD 기록
ord-87abfa99775a49c48a1ee24f41ce8829
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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