Ammonia → Dicyclohexylamine

HRID 144110Notes

Reaction equation

HRID 144110 reaction equation
[C:14](=[O:15])([c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1)[S:22][CH2:23][CH:24]([C:25](=[O:26])[N:27]1[CH2:28][c:29]2[cH:30][cH:31][cH:32][cH:33][c:34]2[CH2:35][CH:36]1[C:37](=[O:38])[OH:39])[CH3:40].[CH3:41][CH2:42][CH2:43][CH2:44][CH2:45][CH3:46].[CH3:48][OH:49].[CH:1]1([NH:7][CH:8]2[CH2:9][CH2:10][CH2:11][CH2:12][CH2:13]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[NH3:47]>>[CH:1]1([NH:7][CH:8]2[CH2:9][CH2:10][CH2:11][CH2:12][CH2:13]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[SH:22][CH2:23][CH:24]([C:25](=[O:26])[N:27]1[CH2:28][c:29]2[cH:30][cH:31][cH:32][cH:33][c:34]2[CH2:35][CH:36]1[C:37](=[O:38])[OH:39])[CH3:40]

Participants

7

Reactant 5

HCID 222AmmoniaHCID 887MethanolHCID 7582DicyclohexylamineHCID 8058HexaneHCID 130920842-(3-Benzoylthio-2-methylpropanoyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

Product 2

HCID 7582DicyclohexylamineHCID 129428662-(3-Mercapto-2-methyl-propionyl)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid

Sources & evidence

ORD record
ord-f39aa80f31104c1faf9cfc453ad5df6c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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