Hydrochloric Acid → Ethyl 1-[[3-amino-4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]amino]cyclopropane-1-carboxylate

HRID 184236

Reaction equation

HRID 184236 reaction equation
[C:11]([CH3:12])([CH3:13])([CH3:14])[O:15][C:16](=[O:17])[N:18]([CH:19]1[CH:20]([NH2:26])[CH2:21][C:22](=[O:25])[CH2:23][CH2:24]1)[C:27](=[O:28])[O:29][C:30]([CH3:31])([CH3:32])[CH3:33].[C:34]([O:35][BH-:36]([O:37][C:38](=[O:39])[CH3:40])[O:41][C:42](=[O:43])[CH3:44])(=[O:45])[CH3:46].[Cl:53][CH2:54][Cl:55].[ClH:1].[NH2:2][C:3]1([C:6](=[O:7])[O:8][CH2:9][CH3:10])[CH2:4][CH2:5]1.[Na+:47].[Na+:48].[OH:49][C:50](=[O:51])[O-:52]>>[NH:2]([C:3]1([C:6](=[O:7])[O:8][CH2:9][CH3:10])[CH2:4][CH2:5]1)[CH:22]1[CH2:21][CH:20]([NH2:26])[CH:19]([N:18]([C:16]([O:15][C:11]([CH3:12])([CH3:13])[CH3:14])=[O:17])[C:27](=[O:28])[O:29][C:30]([CH3:31])([CH3:32])[CH3:33])[CH2:24][CH2:23]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 6344DichloromethaneHCID 386204Ethyl 1-aminocyclopropanecarboxylateHCID 2724942TriacetoxyborohydrideHCID 68905435tert-butyl N-(2-amino-4-oxocyclohexyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

Product 1

HCID 77550181Ethyl 1-[[3-amino-4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]amino]cyclopropane-1-carboxylate

Sources & evidence

ORD record
ord-ad59240725014ba8bd7a24a93dfe2b1a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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