Acetonitrile → Hydrochloric Acid

HRID 286839Notes

Reaction equation

HRID 286839 reaction equation
[CH2:1]([CH3:2])[O:3][CH2:4][C:5](=[O:6])[Cl:7].[CH3:31][C:32]#[N:33].[NH2:8][c:9]1[c:10]([Cl:30])[n:11][c:12]2[cH:13][cH:14][cH:15][cH:16][c:17]2[c:18]1[NH:19][CH2:20][CH2:21][NH:22][C:23]([O:24][C:25]([CH3:26])([CH3:27])[CH3:28])=[O:29]>>[CH2:1]([CH3:2])[O:3][CH2:4][C:5](=[O:6])[NH:8][c:9]1[c:10]([Cl:30])[n:11][c:12]2[cH:13][cH:14][cH:15][cH:16][c:17]2[c:18]1[NH:19][CH2:20][CH2:21][NH:22][C:23]([O:24][C:25]([CH3:26])([CH3:27])[CH3:28])=[O:29].[ClH:7]

Participants

5

Reactant 3

HCID 6342AcetonitrileHCID 84189Ethoxyacetyl chlorideHCID 86616882Tert-butyl 2-[(3-amino-2-chloroquinolin-4-yl)amino]ethylcarbamate

Product 2

HCID 313Hydrochloric AcidHCID 86616883Tert-butyl 2-({2-chloro-3-[(ethoxyacetyl)amino]quinolin-4-yl}amino)ethylcarbamate

Sources & evidence

ORD record
ord-01608a19ff9c487ca178ae2d85a9a37d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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