Hydrochloric Acid → Hydrochloric Acid

HRID 190778Notes

Reaction equation

HRID 190778 reaction equation
[C:33]([O:34][BH-:35]([O:36][C:37](=[O:38])[CH3:39])[O:40][C:41](=[O:42])[CH3:43])(=[O:44])[CH3:45].[CH2:56]([O:57][CH2:58][CH3:59])[CH3:60].[CH3:26][C:27]([CH2:28][CH:29]=[O:30])([CH3:31])[CH3:32].[CH3:61][CH2:62][O:63][C:64]([CH3:65])=[O:66].[Cl:53][CH2:54][Cl:55].[ClH:1].[ClH:52].[NH2:2][CH:3]([C:4](=[O:5])[NH:6][C:7]([CH3:8])([CH3:9])[CH3:10])[CH2:11][c:12]1[cH:13][cH:14][c:15]([O:18][CH2:19][c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[cH:16][cH:17]1.[Na+:46].[Na+:51].[O-:47][C:48]([OH:49])=[O:50]>>[ClH:1].[NH:2]([CH:3]([C:4](=[O:5])[NH:6][C:7]([CH3:8])([CH3:9])[CH3:10])[CH2:11][c:12]1[cH:13][cH:14][c:15]([O:18][CH2:19][c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[cH:16][cH:17]1)[CH2:29][CH2:28][C:27]([CH3:26])([CH3:31])[CH3:32]

Participants

11

Reactant 9

HCID 313Hydrochloric Acid2×HCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 3283Diethyl EtherHCID 6344DichloromethaneHCID 8857Ethyl AcetateHCID 763353,3-DimethylbutanalHCID 2724942TriacetoxyborohydrideHCID 222559212-amino-3-(4-benzyloxy-phenyl)-N-tert-butyl-propionamide

Product 2

HCID 313Hydrochloric AcidHCID 18352006N-tert-butyl-2-(3,3-dimethylbutylamino)-3-(4-phenylmethoxyphenyl)propanamide

Sources & evidence

ORD record
ord-ac4756a85fef43a5b34320fb9c2e8431
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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