Hydrochloric Acid → HCID 178465356, compound

HRID 186236Notes

Reaction equation

HRID 186236 reaction equation
[CH2:1]([CH3:2])[NH:3][C:4](=[O:5])[N:6]=[C:7]([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)[O:14][CH3:15].[CH3:48][OH:49].[CH:39]([N:40]([CH2:41][CH3:42])[CH:43]([CH3:44])[CH3:45])([CH3:46])[CH3:47].[ClH:16].[ClH:17].[NH2:18][CH:19]([C:20](=[O:21])[NH:22][C:23]1([C:30]#[N:31])[CH2:24][CH2:25][N:26]([CH3:29])[CH2:27][CH2:28]1)[CH2:32][CH:33]1[CH2:34][CH2:35][CH2:36][CH2:37][CH2:38]1>>[CH2:1]([CH3:2])[NH:3][C:4](=[O:5])[N:6]=[C:7]([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)[NH:18][CH:19]([C:20](=[O:21])[NH:22][C:23]1([C:30]#[N:31])[CH2:24][CH2:25][N:26]([CH3:29])[CH2:27][CH2:28]1)[CH2:32][CH:33]1[CH2:34][CH2:35][CH2:36][CH2:37][CH2:38]1

Participants

6

Reactant 5

HCID 313Hydrochloric Acid2×HCID 887MethanolHCID 81531DiisopropylethylamineHCID 220631432-amino-N-(4-cyano-1-methyl-piperidin-4-yl)-3-cyclohexyl-propionamideHCID 69416768Methyl N-(ethylcarbamoyl)benzenecarboximidate

Product 1

HCID 178465356HCID 178465356, compound

Sources & evidence

ORD record
ord-e57bc903ca9c403d815fb6d4c10795c7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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