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

HRID 679564Notes

Reaction equation

HRID 679564 reaction equation
[C:44]([O:45][BH-:46]([O:47][C:48](=[O:49])[CH3:50])[O:51][C:52](=[O:53])[CH3:54])(=[O:55])[CH3:56].[C:65]([OH:66])(=[O:67])[CH3:68].[CH3:40][C:41](=[O:42])[O-:43].[CH3:58][CH2:59][OH:60].[Cl:1][c:2]1[cH:3][c:4](-[c:12]2[n:13][n:14][c:15](-[c:17]3[c:18]([CH2:26][CH3:27])[c:19]([CH2:23][CH:24]=[O:25])[cH:20][cH:21][cH:22]3)[s:16]2)[cH:5][cH:6][c:7]1[O:8][CH:9]([CH3:10])[CH3:11].[Cl:61][CH2:62][Cl:63].[NH:28]1[CH2:29][CH2:30][CH:31]([C:34](=[O:35])[O:36][CH2:37][CH3:38])[CH2:32][CH2:33]1.[Na+:39].[Na+:57].[OH2:64]>>[Cl:1][c:2]1[cH:3][c:4](-[c:12]2[n:13][n:14][c:15](-[c:17]3[c:18]([CH2:26][CH3:27])[c:19]([CH2:23][CH2:24][N:28]4[CH2:29][CH2:30][CH:31]([C:34](=[O:35])[O:36][CH2:37][CH3:38])[CH2:32][CH2:33]4)[cH:20][cH:21][cH:22]3)[s:16]2)[cH:5][cH:6][c:7]1[O:8][CH:9]([CH3:10])[CH3:11]

Participants

10

Reactant 9

HCID 175AcetateHCID 176Acetic AcidHCID 702EthanolHCID 923Sodium ion2×HCID 962WaterHCID 6344DichloromethaneHCID 70770Ethyl 4-piperidinecarboxylateHCID 2724942TriacetoxyborohydrideHCID 58494137HCID 58494137, compound

Product 1

HCID 58494056Ethyl 1-{2-[3-(5-{3-chloro-4-[(1-methylethyl)oxy]phenyl}-1,3,4-thiadiazol-2-yl)-2-ethylphenyl]ethyl}-4-piperidinecarboxylate

Sources & evidence

ORD record
ord-9d12d1177ee14a6b8d3b65923b3ed5ba
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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