Hydrochloric Acid → Hydrochloric Acid

HRID 288513Notes

Reaction equation

HRID 288513 reaction equation
[C:26]([CH3:27])([CH3:28])([CH3:29])[c:30]1[cH:31][cH:32][c:33]([CH:34]=[O:35])[cH:36][cH:37]1.[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].[CH3:60][CH2:61][O:62][C:63]([CH3:64])=[O:65].[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)[CH2:34][c:33]1[cH:32][cH:31][c:30]([C:26]([CH3:27])([CH3:28])[CH3:29])[cH:37][cH:36]1

Participants

10

Reactant 8

HCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 6344DichloromethaneHCID 8857Ethyl AcetateHCID 703244-tert-ButylbenzaldehydeHCID 2724942TriacetoxyborohydrideHCID 222559212-amino-3-(4-benzyloxy-phenyl)-N-tert-butyl-propionamide

Product 2

HCID 313Hydrochloric AcidHCID 18352019N-tert-butyl-2-[(4-tert-butylphenyl)methylamino]-3-(4-phenylmethoxyphenyl)propanamide

Sources & evidence

ORD record
ord-a734a23aaa4446f6bc306306e5706f84
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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