Hydrochloric Acid → HCID 178473208, compound

HRID 308236Notes

Reaction equation

HRID 308236 reaction equation
[C:51]1(=[O:55])[CH2:52][CH2:53][O:54]1.[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[N:6]1[CH:7]([CH2:43][CH3:44])[CH2:8][CH:9]([NH:20][c:21]2[n:22][cH:23][c:24]([OH:42])[c:25]([CH2:27][c:28]3[cH:29][c:30]([C:38]([F:39])([F:40])[F:41])[cH:31][c:32]([C:34]([F:35])([F:36])[F:37])[cH:33]3)[n:26]2)[c:10]2[cH:11][c:12]([C:16]([F:17])([F:18])[F:19])[cH:13][cH:14][c:15]21.[CH3:45][C:46]([CH3:47])([O-:48])[CH3:49].[CH3:62][CH2:63][O:64][C:65](=[O:66])[CH3:67].[ClH:56].[K+:50].[O:57]1[CH2:58][CH2:59][CH2:60][CH2:61]1>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[N:6]1[CH:7]([CH2:43][CH3:44])[CH2:8][CH:9]([NH:20][c:21]2[n:22][cH:23][c:24]([O:42][CH2:53][CH2:52][C:51](=[O:54])[OH:55])[c:25]([CH2:27][c:28]3[cH:29][c:30]([C:38]([F:39])([F:40])[F:41])[cH:31][c:32]([C:34]([F:35])([F:36])[F:37])[cH:33]3)[n:26]2)[c:10]2[cH:11][c:12]([C:16]([F:17])([F:18])[F:19])[cH:13][cH:14][c:15]21

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 813Potassium CationHCID 2365Beta-PropiolactoneHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 45749132-Methylpropan-2-olateHCID 178473206HCID 178473206, compound

Product 1

HCID 178473208HCID 178473208, compound

Sources & evidence

ORD record
ord-51fdef017ab34ed69547808bafbfb55d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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