Hydrochloric Acid → tert-butyl N-[2-(3-carbamoyl-2-azabicyclo[3.1.0]hexan-2-yl)-1-(3-hydroxy-1-adamantyl)-2-oxoethyl]carbamate

HRID 200935Notes

Reaction equation

HRID 200935 reaction equation
[CH2:58]1[O:59][CH2:60][CH2:61][CH2:62]1.[CH3:1][C:2]([CH3:3])([O:4][C:5](=[O:6])[NH:7][CH:8]([C:9](=[O:10])[OH:11])[C:12]12[CH2:13][C:14]3([OH:22])[CH2:15][CH:16]([CH2:17][CH:18]([CH2:19]1)[CH2:20]3)[CH2:21]2)[CH3:23].[CH3:24][S:25](=[O:26])(=[O:27])[Cl:28].[CH:29]([N:30]([CH:31]([CH3:32])[CH3:33])[CH2:34][CH3:35])([CH3:36])[CH3:37].[CH:39]12[NH:40][CH:41]([C:45](=[O:46])[NH2:47])[CH2:42][CH:43]1[CH2:44]2.[ClH:38].[OH:48][c:49]1[c:50]2[n:51][n:52][nH:53][c:54]2[cH:55][cH:56][cH:57]1>>[CH3:1][C:2]([CH3:3])([O:4][C:5](=[O:6])[NH:7][CH:8]([C:9](=[O:10])[N:40]1[CH:39]2[CH:43]([CH2:42][CH:41]1[C:45](=[O:46])[NH2:47])[CH2:44]2)[C:12]12[CH2:13][C:14]3([OH:22])[CH2:15][CH:16]([CH2:17][CH:18]([CH2:19]1)[CH2:20]3)[CH2:21]2)[CH3:23]

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 8028TetrahydrofuranHCID 31297Methanesulfonyl chlorideHCID 81531DiisopropylethylamineHCID 210946622-Azabicyclo(3.1.0)hexane-3-carboxamide, (1S,3S,5S)-HCID 23596413alpha-[[(1,1-Dimethylethoxy)carbonyl]amino]-3-hydroxytricyclo[3.3.1.13,7]decane-1-acetic acidHCID 178418300HCID 178418300, compound

Product 1

HCID 72976182tert-butyl N-[2-(3-carbamoyl-2-azabicyclo[3.1.0]hexan-2-yl)-1-(3-hydroxy-1-adamantyl)-2-oxoethyl]carbamate

Sources & evidence

ORD record
ord-5c91233ffe2a45dbbef3b8980af8c7c7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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