Hydrochloric Acid → HCID 178427079, compound

HRID 184750Notes

Reaction equation

HRID 184750 reaction equation
[CH3:55][CH2:56][O:57][C:58](=[O:59])[CH3:60].[Cl:1][c:2]1[cH:3][c:4]2[c:5]([nH:6][c:7]([CH:9]([CH2:10][CH2:11][C:12](=[O:13])[N:14]3[CH:15]([CH2:19][NH:20][C:21]([O:22][C:23]([CH3:24])([CH3:25])[CH3:26])=[O:27])[CH2:16][CH2:17][CH2:18]3)[NH:28][C:29]([c:30]3[cH:31][c:32]([CH3:43])[c:33]([C:36](=[O:37])[N:38]4[CH2:39][CH2:40][CH2:41][CH2:42]4)[cH:34][cH:35]3)=[O:44])[n:8]2)[cH:45][cH:46]1.[Cl:54].[OH:47][C:48]([C:49]([F:50])([F:51])[F:52])=[O:53]>>[Cl:1][c:2]1[cH:3][c:4]2[c:5]([nH:6][c:7]([CH:9]([CH2:10][CH2:11][C:12](=[O:13])[N:14]3[CH:15]([CH2:19][NH2:20])[CH2:16][CH2:17][CH2:18]3)[NH:28][C:29]([c:30]3[cH:31][c:32]([CH3:43])[c:33]([C:36](=[O:37])[N:38]4[CH2:39][CH2:40][CH2:41][CH2:42]4)[cH:34][cH:35]3)=[O:44])[n:8]2)[cH:45][cH:46]1

Participants

5

Reactant 4

HCID 313Hydrochloric AcidHCID 6422Trifluoroacetic acidHCID 8857Ethyl AcetateHCID 178427080HCID 178427080, compound

Product 1

HCID 178427079HCID 178427079, compound

Sources & evidence

ORD record
ord-945d689fe2c74fdeb939b4c8bb4ad24e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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