Hydrochloric Acid → HCID 87503701, compound

HRID 1219545Notes

Reaction equation

HRID 1219545 reaction equation
[C:3](=[O:4])([CH3:5])[O:6][c:7]1[c:8]([C:9](=[O:10])[NH:11][CH:12]([CH2:13][c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[C:20]([NH:21][c:22]2[cH:23][c:24]([C:32]([F:33])([F:34])[F:35])[cH:25][c:26]([C:28]([F:29])([F:30])[F:31])[cH:27]2)=[O:36])[cH:37][c:38]([Cl:41])[cH:39][cH:40]1.[C:56]([O:57][CH2:58][CH3:59])(=[O:60])[CH3:61].[CH3:43][CH2:44][CH2:45][CH2:46][CH2:47][CH3:48].[CH3:67][OH:68].[CH:49]([O:50][CH:51]([CH3:52])[CH3:53])([CH3:54])[CH3:55].[ClH:42].[Na+:2].[O:62]1[CH2:63][CH2:64][CH2:65][CH2:66]1.[OH-:1]>>[OH:6][c:7]1[c:8]([C:9](=[O:10])[NH:11][CH:12]([CH2:13][c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[C:20]([NH:21][c:22]2[cH:23][c:24]([C:32]([F:33])([F:34])[F:35])[cH:25][c:26]([C:28]([F:29])([F:30])[F:31])[cH:27]2)=[O:36])[cH:37][c:38]([Cl:41])[cH:39][cH:40]1

Participants

10

Reactant 9

HCID 313Hydrochloric AcidHCID 887MethanolHCID 923Sodium ionHCID 961HydroxideHCID 7914Diisopropyl EtherHCID 8028TetrahydrofuranHCID 8058HexaneHCID 8857Ethyl AcetateHCID 23069984HCID 23069984, compound

Product 1

HCID 87503701HCID 87503701, compound

Sources & evidence

ORD record
ord-f6b34bb8bf6a49b894934e0f73515d97
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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