Acetic Acid → HCID 15870851, compound

HRID 1115315Notes

Reaction equation

HRID 1115315 reaction equation
[BrH:45].[C:41]([OH:42])(=[O:43])[CH3:44].[CH2:1]([O:2][C:3](=[O:4])[N:11]1[CH2:12][c:13]2[cH:14][cH:15][c:16](-[c:20]3[c:21]([F:39])[cH:22][c:23]4[c:24](=[O:38])[c:25]([C:35](=[O:36])[OH:37])[cH:26][n:27]([CH:32]5[CH2:33][CH2:34]5)[c:28]4[c:29]3[CH2:30][F:31])[cH:17][c:18]2[CH2:19]1)[c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1.[ClH:40].[Na+:47].[OH-:46]>>[NH:11]1[CH2:12][c:13]2[cH:14][cH:15][c:16](-[c:20]3[c:21]([F:39])[cH:22][c:23]4[c:24](=[O:38])[c:25]([C:35](=[O:36])[OH:37])[cH:26][n:27]([CH:32]5[CH2:33][CH2:34]5)[c:28]4[c:29]3[CH2:30][F:31])[cH:17][c:18]2[CH2:19]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 260Hydrogen BromideHCID 313Hydrochloric AcidHCID 923Sodium ionHCID 961HydroxideHCID 21220299HCID 21220299, compound

Product 1

HCID 15870851HCID 15870851, compound

Sources & evidence

ORD record
ord-6d013567da354f0bab029e379ed1e87d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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