Acetate → Benzyl 4-(4-{2-[2-(4-fluorophenyl)ethylamino]ethoxy}phenyl)-3-[4-(3-methoxypropyl)-3,4-dihydro-2H-benzo[1,4]oxazin-6-ylmethoxy]piperidine-1-carboxylate

HRID 1571144Notes

Reaction equation

HRID 1571144 reaction equation
[C:59]([BH3-:60])#[N:61].[CH3:55][C:56](=[O:57])[O-:58].[CH3:73][OH:74].[F:44][c:45]1[cH:46][cH:47][c:48]([CH2:51][CH:52]=[O:53])[cH:49][cH:50]1.[NH2:1][CH2:2][CH2:3][O:4][c:5]1[cH:6][cH:7][c:8]([CH:11]2[CH:12]([O:27][CH2:28][c:29]3[cH:30][cH:31][c:32]4[c:33]([cH:43]3)[N:34]([CH2:38][CH2:39][CH2:40][O:41][CH3:42])[CH2:35][CH2:36][O:37]4)[CH2:13][N:14]([C:17](=[O:18])[O:19][CH2:20][c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)[CH2:15][CH2:16]2)[cH:9][cH:10]1.[Na+:54].[Na+:62].[Na+:63].[O:68]1[CH2:69][CH2:70][CH2:71][CH2:72]1.[OH:64][C:65](=[O:66])[O-:67]>>[NH:1]([CH2:2][CH2:3][O:4][c:5]1[cH:6][cH:7][c:8]([CH:11]2[CH:12]([O:27][CH2:28][c:29]3[cH:30][cH:31][c:32]4[c:33]([cH:43]3)[N:34]([CH2:38][CH2:39][CH2:40][O:41][CH3:42])[CH2:35][CH2:36][O:37]4)[CH2:13][N:14]([C:17](=[O:18])[O:19][CH2:20][c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)[CH2:15][CH2:16]2)[cH:9][cH:10]1)[CH2:52][CH2:51][c:48]1[cH:47][cH:46][c:45]([F:44])[cH:50][cH:49]1

Participants

9

Reactant 8

HCID 175AcetateHCID 769Bicarbonate IonHCID 887MethanolHCID 923Sodium ion3×HCID 8028TetrahydrofuranHCID 498716Cyano-borohydrideHCID 111263222-(4-fluorophenyl)acetaldehydeHCID 68501706benzyl 4-[4-(2-aminoethoxy)phenyl]-3-[4-(3-methoxypropyl)-3,4-dihydro-2H-benzo[1,4]oxazin-6-ylmethoxy]piperidine-1-carboxylate

Product 1

HCID 68500702Benzyl 4-(4-{2-[2-(4-fluorophenyl)ethylamino]ethoxy}phenyl)-3-[4-(3-methoxypropyl)-3,4-dihydro-2H-benzo[1,4]oxazin-6-ylmethoxy]piperidine-1-carboxylate

Sources & evidence

ORD record
ord-2aba0a1b633343f2ae7f22824e0a0298
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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