Ammonium → HCID 178452438, compound

HRID 318765Notes

Reaction equation

HRID 318765 reaction equation
[C:11]([CH3:12])([CH3:13])([CH3:14])[O:15][C:16](=[O:17])[N:18]1[C:19]([CH3:57])([CH3:58])[O:20][CH2:21][CH:22]1[CH:23]([CH:24]([CH2:25][c:26]1[cH:27][c:28]([F:33])[cH:29][c:30]([F:32])[cH:31]1)[N:34]([CH2:35][c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1)[CH2:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1)[O:49][CH2:50][c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1.[CH3:61][N:62]1[CH2:63][CH2:64][CH2:65][C:66]1=[O:67].[CH3:68][CH2:69][O:70][C:71](=[O:72])[CH3:73].[Cl-:59].[H-:2].[NH4+:60].[Na+:1].[OH:3][CH2:4][c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1>>[O:3]([CH2:4][c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1)[c:30]1[cH:29][c:28]([F:33])[cH:27][c:26]([CH2:25][CH:24]([CH:23]([CH:22]2[N:18]([C:16]([O:15][C:11]([CH3:12])([CH3:13])[CH3:14])=[O:17])[C:19]([CH3:57])([CH3:58])[O:20][CH2:21]2)[O:49][CH2:50][c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[N:34]([CH2:35][c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[CH2:42][c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)[cH:31]1

Participants

9

Reactant 8

HCID 223AmmoniumHCID 244Benzyl AlcoholHCID 312ChlorideHCID 923Sodium ionHCID 8857Ethyl AcetateHCID 13387N-methyl-2-pyrrolidoneHCID 166653HydrideHCID 77514015Tert-butyl 4-[2-(dibenzylamino)-3-(3,5-difluorophenyl)-1-phenylmethoxypropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

Product 1

HCID 178452438HCID 178452438, compound

Sources & evidence

ORD record
ord-3877eb47d3f0419ba9db5b70016b49ba
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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