Hydrochloric Acid → Benzyl 3-[8-[(2,5-difluorophenyl)methoxy]octanoylamino]-4-(dimethylamino)butanoate

HRID 307443

Reaction equation

HRID 307443 reaction equation
[CH2:1]([OH:2])[CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][OH:10].[CH2:62]([c:63]1[cH:64][cH:65][cH:66][cH:67][cH:68]1)[O:69][C:70]([CH2:71][CH:72]([CH2:73][N:74]([CH3:75])[CH3:76])[NH2:77])=[O:78].[ClH:60].[ClH:61].[F:11][c:12]1[cH:13][cH:14][c:15]([F:16])[cH:17][c:18]1[CH2:19][Br:20].[F:21][c:22]1[c:23]([CH2:24][O:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][OH:34])[cH:35][c:36]([F:39])[cH:37][cH:38]1.[F:40][c:41]1[cH:42][cH:43][c:44]([F:45])[cH:46][c:47]1[CH2:48][O:49][CH2:50][CH2:51][CH2:52][CH2:53][CH2:54][CH2:55][CH2:56][C:57]([OH:58])=[O:59]>>[F:21][c:22]1[c:23]([CH2:24][O:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][C:33](=[O:34])[NH:77][CH:72]([CH2:71][C:70]([O:69][CH2:62][c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)=[O:78])[CH2:73][N:74]([CH3:75])[CH3:76])[cH:35][c:36]([F:39])[cH:37][cH:38]1

Participants

7

Reactant 6

HCID 313Hydrochloric Acid2×HCID 694201,8-OctanediolHCID 5228302-(Bromomethyl)-1,4-difluorobenzeneHCID 66874843Benzyl 3-amino-4-(dimethylamino)butanoateHCID 668753838-(2,5-Difluoro-benzyloxy)-octanoic acidHCID 668755838-(2,5-Difluoro-benzyloxy)-octan-1-ol

Product 1

HCID 66874751Benzyl 3-[8-[(2,5-difluorophenyl)methoxy]octanoylamino]-4-(dimethylamino)butanoate

Sources & evidence

ORD record
ord-f30e444aed4540d28dd9640e5497438b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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