Acetic Acid → HCID 14376332, compound

HRID 2151798Notes

Reaction equation

HRID 2151798 reaction equation
[CH3:56][C:57](=[O:58])[OH:59].[H:54][H:55].[P:1](=[O:2])([O:3][CH2:4][CH:5]([CH2:6][O:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH3:25])[O:26][CH2:27][c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1)([O:34][CH2:35][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][N+:49]([CH3:50])([CH3:51])[CH3:52])[O-:53]>>[P:1](=[O:2])([O:3][CH2:4][CH:5]([CH2:6][O:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH3:25])[OH:26])([O:34][CH2:35][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][N+:49]([CH3:50])([CH3:51])[CH3:52])[O-:53]

Participants

4

Reactant 3

HCID 176Acetic AcidHCID 14376324HCID 14376324, compoundHCID 178418361HCID 178418361, compound

Product 1

HCID 14376332HCID 14376332, compound

Sources & evidence

ORD record
ord-1410ddbadc9e4fb3915a1bee4ade199d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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