Hydrochloric Acid → Benzyl 4-(dimethylamino)-3-[9-(4-fluorophenoxy)nonanoylamino]butanoate

HRID 95438

Reaction equation

HRID 95438 reaction equation
[Br:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][OH:19].[CH2:59]([c:60]1[cH:61][cH:62][cH:63][cH:64][cH:65]1)[O:66][C:67]([CH2:68][CH:69]([CH2:70][N:71]([CH3:72])[CH3:73])[NH2:74])=[O:75].[ClH:57].[ClH:58].[F:1][c:2]1[cH:3][cH:4][c:5]([OH:6])[cH:7][cH:8]1.[F:20][c:21]1[cH:22][cH:23][c:24]([O:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][OH:35])[cH:36][cH:37]1.[F:38][c:39]1[cH:40][cH:41][c:42]([O:43][CH2:44][CH2:45][CH2:46][CH2:47][CH2:48][CH2:49][CH2:50][CH2:51][C:52]([OH:53])=[O:54])[cH:55][cH:56]1>>[F:20][c:21]1[cH:22][cH:23][c:24]([O:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][C:34](=[O:35])[NH:74][CH:69]([CH2:68][C:67]([O:66][CH2:59][c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)=[O:75])[CH2:70][N:71]([CH3:72])[CH3:73])[cH:36][cH:37]1

Participants

7

Reactant 6

HCID 313Hydrochloric Acid2×HCID 97324-FluorophenolHCID 1087001-Nonanol, 9-bromo-HCID 66874843Benzyl 3-amino-4-(dimethylamino)butanoateHCID 668751339-(4-Fluoro-phenoxy)-nonanoic acidHCID 689931199-(4-Fluoro-phenoxy)-nonan-1-ol

Product 1

HCID 66875166Benzyl 4-(dimethylamino)-3-[9-(4-fluorophenoxy)nonanoylamino]butanoate

Sources & evidence

ORD record
ord-cbb7dbe64a8046b982a0f30efbdf079d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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