Hydrochloric Acid → Hydrochloric Acid

HRID 1132584Notes

Reaction equation

HRID 1132584 reaction equation
[C:38]([O:39][BH-:40]([O:41][C:42](=[O:43])[CH3:44])[O:45][C:46](=[O:47])[CH3:48])(=[O:49])[CH3:50].[CH2:26]([CH2:27][CH:28]([CH3:29])[CH3:30])[C:31](=[O:32])[CH2:33][CH2:34][CH:35]([CH3:36])[CH3:37].[Cl:57][CH2:58][Cl:59].[ClH:1].[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+:51].[Na+:56].[O-:52][C:53]([OH:54])=[O:55]>>[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)[CH:31]([CH2:26][CH2:27][CH:28]([CH3:29])[CH3:30])[CH2:33][CH2:34][CH:35]([CH3:36])[CH3:37]

Participants

9

Reactant 7

HCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 6344DichloromethaneHCID 62421Diisoamyl ketoneHCID 2724942TriacetoxyborohydrideHCID 222559212-amino-3-(4-benzyloxy-phenyl)-N-tert-butyl-propionamide

Product 2

HCID 313Hydrochloric AcidHCID 20708499N-tert-butyl-2-(2,8-dimethylnonan-5-ylamino)-3-(4-phenylmethoxyphenyl)propanamide

Sources & evidence

ORD record
ord-4eff1396931e40ca994334cc292d3afc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

Loading…