Hydrochloric Acid → HCID 178480341, compound

HRID 2328403Notes

Reaction equation

HRID 2328403 reaction equation
[CH3:36][CH2:37][N:38]([CH2:39][CH3:40])[CH2:41][CH3:42].[CH3:43][C:44]#[N:45].[Cl:1][C:2]1=[N:3][S:4](=[O:11])(=[O:12])[c:5]2[c:6]1[cH:7][cH:8][cH:9][cH:10]2.[ClH:13].[ClH:14].[NH2:15][CH:16]([C:17](=[O:18])[NH:19][C:20]1([C:27]#[N:28])[CH2:21][CH2:22][N:23]([CH3:26])[CH2:24][CH2:25]1)[CH2:29][CH:30]1[CH2:31][CH2:32][CH2:33][CH2:34][CH2:35]1>>[C:2]1([NH:15][CH:16]([C:17](=[O:18])[NH:19][C:20]2([C:27]#[N:28])[CH2:21][CH2:22][N:23]([CH3:26])[CH2:24][CH2:25]2)[CH2:29][CH:30]2[CH2:31][CH2:32][CH2:33][CH2:34][CH2:35]2)=[N:3][S:4](=[O:11])(=[O:12])[c:5]2[c:6]1[cH:7][cH:8][cH:9][cH:10]2

Participants

6

Reactant 5

HCID 313Hydrochloric Acid2×HCID 6342AcetonitrileHCID 8471TriethylamineHCID 64783Pseudosaccharin chlorideHCID 220631432-amino-N-(4-cyano-1-methyl-piperidin-4-yl)-3-cyclohexyl-propionamide

Product 1

HCID 178480341HCID 178480341, compound

Sources & evidence

ORD record
ord-772706eb53f247afaf86ecb8f2a5fbcd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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