Hydrochloric Acid → HCID 56846699, compound

HRID 681947Notes

Reaction equation

HRID 681947 reaction equation
[CH2:29]([CH3:30])[NH2:31].[CH3:43][CH2:44][O:45][C:46]([CH3:47])=[O:48].[CH3:49][C:50]#[N:51].[CH:32]([N:33]([CH2:34][CH3:35])[CH:36]([CH3:37])[CH3:38])([CH3:39])[CH3:40].[Cl:1][c:2]1[n:3][c:4]2[cH:5][c:6]([C:24]([F:25])([F:26])[F:27])[cH:7][cH:8][c:9]2[c:10]([CH3:23])[c:11]1[C:12](=[O:13])[NH:14][CH2:15][c:16]1[cH:17][c:18]([F:22])[cH:19][cH:20][cH:21]1.[ClH:28].[Na+:42].[OH-:41]>>[c:2]1([NH:31][CH2:29][CH3:30])[n:3][c:4]2[cH:5][c:6]([C:24]([F:25])([F:26])[F:27])[cH:7][cH:8][c:9]2[c:10]([CH3:23])[c:11]1[C:12](=[O:13])[NH:14][CH2:15][c:16]1[cH:17][c:18]([F:22])[cH:19][cH:20][cH:21]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 923Sodium ionHCID 961HydroxideHCID 6341EthylamineHCID 6342AcetonitrileHCID 8857Ethyl AcetateHCID 81531DiisopropylethylamineHCID 86645341HCID 86645341, compound

Product 1

HCID 56846699HCID 56846699, compound

Sources & evidence

ORD record
ord-54439854148f49e78a134cd918396ecc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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