Acetic Acid → HCID 22482479, compound

HRID 668359Notes

Reaction equation

HRID 668359 reaction equation
[Br-:30].[BrH:29].[CH2:31]([N+:32]([CH3:33])([CH3:34])[CH3:35])[CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][CH2:42][CH2:43][CH2:44][CH2:45][CH2:46][CH2:47][CH2:48][CH2:49][CH3:50].[CH3:51][C:52](=[O:53])[OH:54].[F:1][c:2]1[c:3]([CH2:4][n:5]2[c:6](-[c:16]3[c:17]([F:23])[cH:18][cH:19][cH:20][c:21]3[F:22])[n:7][c:8]3[c:9]2[cH:10][cH:11][cH:12][c:13]3[O:14][CH3:15])[c:24]([F:28])[cH:25][cH:26][cH:27]1>>[F:1][c:2]1[c:3]([CH2:4][n:5]2[c:6](-[c:16]3[c:17]([F:23])[cH:18][cH:19][cH:20][c:21]3[F:22])[n:7][c:8]3[c:9]2[cH:10][cH:11][cH:12][c:13]3[OH:14])[c:24]([F:28])[cH:25][cH:26][cH:27]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 259Bromide ionHCID 260Hydrogen BromideHCID 2681CetyltrimethylammoniumHCID 492672HCID 492672, compound

Product 1

HCID 22482479HCID 22482479, compound

Sources & evidence

ORD record
ord-3bcb2ce0c3594bb588c2867835b71812
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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