Hydrochloric Acid → (1-Diethylcarbamoylmethyl-cyclohexylmethyl)-carbamic acid tert-butyl ester

HRID 209789Notes

Reaction equation

HRID 209789 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH2:9][C:10]1([CH2:16][C:17](=[O:18])[OH:19])[CH2:11][CH2:12][CH2:13][CH2:14][CH2:15]1.[C:44]([O:45][C:46]([N:47]1[C:48](=[O:49])[CH2:50][C:51]2([CH2:52][CH2:53][CH2:54][CH2:55][CH2:56]2)[CH2:57]1)=[O:58])([CH3:59])([CH3:60])[CH3:61].[CH2:39]([NH:40][CH2:41][CH3:42])[CH3:43].[CH3:21][N:22]([CH3:23])[CH2:24][CH2:25][CH2:26][N:27]=[C:28]=[N:29][CH2:30][CH3:31].[CH3:32][CH2:33][N:34]([CH2:35][CH3:36])[CH2:37][CH3:38].[CH3:65][N:66]([CH3:67])[c:68]1[cH:69][cH:70][n:71][cH:72][cH:73]1.[CH3:74][CH2:75][O:76][C:77](=[O:78])[CH3:79].[CH3:84][CH2:85][CH2:86][CH2:87][CH2:88][CH3:89].[CH:80]([Cl:81])([Cl:82])[Cl:83].[Cl:62][CH2:63][Cl:64].[ClH:20]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH2:9][C:10]1([CH2:16][C:17](=[O:19])[N:34]([CH2:33][CH3:32])[CH2:35][CH3:36])[CH2:11][CH2:12][CH2:13][CH2:14][CH2:15]1

Participants

12

Reactant 11

HCID 313Hydrochloric AcidHCID 6212ChloroformHCID 6344DichloromethaneHCID 8021DiethylamineHCID 8058HexaneHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 142844-(Dimethylamino)pyridineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 27559412-(1-((((Tert-butoxy)carbonyl)amino)methyl)cyclohexyl)acetic acidHCID 685035643-Oxo-2-aza-spiro[4.5]decane-2-carboxylic acid tert-butyl ester

Product 1

HCID 68502511(1-Diethylcarbamoylmethyl-cyclohexylmethyl)-carbamic acid tert-butyl ester

Sources & evidence

ORD record
ord-6090ac1d300f462c94ed0384c11f716d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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