Acetate → Ethyl 1-[2-(3-{5-[3-cyano-4-(2-methylpropyl)phenyl]-1,3,4-thiadiazol-2-yl}-2-ethylphenyl)ethyl]-4-piperidinecarboxylate

HRID 177616Notes

Reaction equation

HRID 177616 reaction equation
[C:45]([O:46][BH-:47]([O:48][C:49](=[O:50])[CH3:51])[O:52][C:53](=[O:54])[CH3:55])(=[O:56])[CH3:57].[C:66]([OH:67])(=[O:68])[CH3:69].[CH2:1]([CH3:2])[c:3]1[c:4](-[c:12]2[n:13][n:14][c:15](-[c:17]3[cH:18][cH:19][c:20]([CH2:25][CH:26]([CH3:27])[CH3:28])[c:21]([C:22]#[N:23])[cH:24]3)[s:16]2)[cH:5][cH:6][cH:7][c:8]1[CH2:9][CH:10]=[O:11].[CH3:41][C:42](=[O:43])[O-:44].[CH3:59][CH2:60][OH:61].[Cl:62][CH2:63][Cl:64].[NH:29]1[CH2:30][CH2:31][CH:32]([C:35](=[O:36])[O:37][CH2:38][CH3:39])[CH2:33][CH2:34]1.[Na+:40].[Na+:58].[OH2:65]>>[CH2:1]([CH3:2])[c:3]1[c:4](-[c:12]2[n:13][n:14][c:15](-[c:17]3[cH:18][cH:19][c:20]([CH2:25][CH:26]([CH3:27])[CH3:28])[c:21]([C:22]#[N:23])[cH:24]3)[s:16]2)[cH:5][cH:6][cH:7][c:8]1[CH2:9][CH2:10][N:29]1[CH2:30][CH2:31][CH:32]([C:35](=[O:36])[O:37][CH2:38][CH3:39])[CH2:33][CH2:34]1

Participants

10

Reactant 9

HCID 175AcetateHCID 176Acetic AcidHCID 702EthanolHCID 923Sodium ion2×HCID 962WaterHCID 6344DichloromethaneHCID 70770Ethyl 4-piperidinecarboxylateHCID 2724942TriacetoxyborohydrideHCID 86659001HCID 86659001, compound

Product 1

HCID 66981810Ethyl 1-[2-(3-{5-[3-cyano-4-(2-methylpropyl)phenyl]-1,3,4-thiadiazol-2-yl}-2-ethylphenyl)ethyl]-4-piperidinecarboxylate

Sources & evidence

ORD record
ord-776937259dbc4f9999ca7ef1668dc9be
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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