Hydrochloric Acid → Hydrochloric Acid

HRID 114974Notes

Reaction equation

HRID 114974 reaction equation
[C:1]([O:2][C:3]([N:8]([C:4]([O:5][C:6]([CH3:7])([CH3:25])[CH3:26])=[O:27])[CH:9]1[CH:10]([NH2:24])[CH2:11][CH:12]([NH:15][C:16]2([C:19](=[O:20])[O:21][CH2:22][CH3:23])[CH2:17][CH2:18]2)[CH2:13][CH2:14]1)=[O:28])([CH3:29])([CH3:30])[CH3:31].[CH3:32][CH2:33][OH:34].[Cl:36][CH2:37][Cl:38].[ClH:35]>>[ClH:35].[NH2:8][CH:9]1[CH:10]([NH2:24])[CH2:11][CH:12]([NH:15][C:16]2([C:19](=[O:20])[O:21][CH2:22][CH3:23])[CH2:17][CH2:18]2)[CH2:13][CH2:14]1

Participants

6

Reactant 4

HCID 313Hydrochloric AcidHCID 702EthanolHCID 6344DichloromethaneHCID 77550181Ethyl 1-[[3-amino-4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]amino]cyclopropane-1-carboxylate

Product 2

HCID 313Hydrochloric AcidHCID 72449313Ethyl 1-[(3,4-diaminocyclohexyl)amino]cyclopropane-1-carboxylate

Sources & evidence

ORD record
ord-44aa1767c1cd4690ad2e68e74ecc6473
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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