Hydrochloric Acid → HCID 178473535, compound

HRID 209975Notes

Reaction equation

HRID 209975 reaction equation
[CH2:1]([CH3:2])[O:3][C:4]([NH:5][C:6](=[S:7])[N:8]1[CH2:9][CH2:10][O:11][CH2:12][CH2:13]1)=[O:14].[ClH:15].[ClH:16].[NH2:17][CH:18]([C:19](=[O:20])[NH:21][C:22]1([C:32]#[N:33])[CH2:23][N:24]([CH:27]([CH2:28][CH3:29])[CH2:30][CH3:31])[CH2:25][CH2:26]1)[CH2:34][CH:35]1[CH2:36][CH2:37][CH2:38][CH2:39][CH2:40]1>>[CH2:1]([CH3:2])[O:3][C:4]([N:5]=[C:6]([N:8]1[CH2:9][CH2:10][O:11][CH2:12][CH2:13]1)[NH:17][CH:18]([C:19](=[O:20])[NH:21][C:22]1([C:32]#[N:33])[CH2:23][N:24]([CH:27]([CH2:28][CH3:29])[CH2:30][CH3:31])[CH2:25][CH2:26]1)[CH2:34][CH:35]1[CH2:36][CH2:37][CH2:38][CH2:39][CH2:40]1)=[O:14]

Participants

4

Reactant 3

HCID 313Hydrochloric Acid2×HCID 2824559Ethyl (morpholin-4-ylcarbonothioyl)carbamateHCID 220632822-amino-N-(3-cyano-1-pentan-3-ylpyrrolidin-3-yl)-3-cyclohexylpropanamide

Product 1

HCID 178473535HCID 178473535, compound

Sources & evidence

ORD record
ord-44234d52456f4ef7a9f49f37fa07994d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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