Hydrochloric Acid → HCID 68731776, compound

HRID 137274Notes

Reaction equation

HRID 137274 reaction equation
[CH2:1]([O:2][CH:4]([O:3][CH2:29][CH3:30])[C:5]#[C:6][c:7]1[c:8]([CH3:28])[n:9](-[c:18]2[cH:19][c:20]([C:24]([F:25])([F:26])[F:27])[cH:21][cH:22][cH:23]2)[c:10](=[O:17])[c:11]([C:13](=[O:14])[O:15][CH3:16])[n:12]1)[CH3:31].[CH3:44][OH:45].[ClH:32].[NH:33]([NH2:34])[c:35]1[cH:36][cH:37][c:38]([C:39]#[N:40])[cH:41][cH:42]1.[OH2:43]>>[CH:4]([C:5]#[C:6][c:7]1[c:8]([CH3:28])[n:9](-[c:18]2[cH:19][c:20]([C:24]([F:25])([F:26])[F:27])[cH:21][cH:22][cH:23]2)[c:10](=[O:17])[c:11]([C:13](=[O:14])[O:15][CH3:16])[n:12]1)=[N:34][NH:33][c:35]1[cH:36][cH:37][c:38]([C:39]#[N:40])[cH:41][cH:42]1

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 887MethanolHCID 962WaterHCID 5837844-HydrazinobenzonitrileHCID 59564940Methyl 6-(3,3-diethoxyprop-1-ynyl)-5-methyl-3-oxo-4-(3-(trifluoromethyl)phenyl)-3,4-dihydropyrazine-2-carboxylate

Product 1

HCID 68731776HCID 68731776, compound

Sources & evidence

ORD record
ord-77b62d6a996543fa93643d51dc7c1044
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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