Acetic Acid → HCID 21962576, compound

HRID 1134327Notes

Reaction equation

HRID 1134327 reaction equation
[BrH:46].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[N:11]([c:12]1[n:13][cH:14][cH:15][cH:16][cH:17]1)[CH2:18][CH2:19][CH2:20][N:21]1[C:22](=[O:45])[CH2:23][O:24][c:25]2[c:26]1[cH:27][cH:28][c:29]([S:31][CH:32]([CH2:33][C:34](=[O:35])[O:36][CH2:37][CH3:38])[c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1)[cH:30]2.[CH3:47][C:48]([OH:49])=[O:50]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[N:11]([c:12]1[n+:13]([O-:49])[cH:14][cH:15][cH:16][cH:17]1)[CH2:18][CH2:19][CH2:20][N:21]1[C:22](=[O:45])[CH2:23][O:24][c:25]2[c:26]1[cH:27][cH:28][c:29]([S:31][CH:32]([CH2:33][C:34](=[O:35])[O:36][CH2:37][CH3:38])[c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1)[cH:30]2

Participants

4

Reactant 3

HCID 176Acetic AcidHCID 260Hydrogen BromideHCID 21962570HCID 21962570, compound

Product 1

HCID 21962576HCID 21962576, compound

Sources & evidence

ORD record
ord-b2b432a0cc504d8493c85e373e07ee32
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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