Hydrochloric Acid → HCID 178451127, compound

HRID 2342371Notes

Reaction equation

HRID 2342371 reaction equation
[CH2:1]([O:3][C:4](=[O:2])[C:5]([CH2:6][N:7]([NH:8][C:9](=[O:10])[c:11]1[cH:12][c:13]([OH:16])[n:14][o:15]1)[CH2:17][c:18]1[cH:19][cH:20][c:21](-[c:24]2[c:25]([F:31])[cH:26][cH:27][c:28]([Cl:30])[cH:29]2)[cH:22][cH:23]1)([CH3:32])[OH:33])[CH3:34].[CH2:35]([CH:36]([CH3:37])[CH3:38])[OH:39].[ClH:40].[O:41]1[CH2:42][CH2:43][O:44][CH2:45][CH2:46]1>>[O:3]=[C:4]([C:5]([CH2:6][N:7]([NH:8][C:9](=[O:10])[c:11]1[cH:12][c:13]([OH:16])[n:14][o:15]1)[CH2:17][c:18]1[cH:19][cH:20][c:21](-[c:24]2[c:25]([F:31])[cH:26][cH:27][c:28]([Cl:30])[cH:29]2)[cH:22][cH:23]1)([CH3:32])[OH:33])[O:39][CH2:35][CH:36]([CH3:37])[CH3:38]

Participants

5

Reactant 4

HCID 313Hydrochloric AcidHCID 6560IsobutanolHCID 312751,4-DioxaneHCID 178472220HCID 178472220, compound

Product 1

HCID 178451127HCID 178451127, compound

Sources & evidence

ORD record
ord-9ee8fd83a7a94e63b87b873fccc03473
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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