Acetic Acid → HCID 54213443, compound

HRID 1201824Notes

Reaction equation

HRID 1201824 reaction equation
[CH2:33]([c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1)[P:40](=[O:41])([O:42][CH2:43][CH3:44])[O:45][CH2:46][CH3:47].[CH3:48][N:49]([CH3:50])[CH:51]=[O:52].[CH3:53][OH:54].[CH3:55][C:56](=[O:57])[OH:58].[CH:1](=[O:2])[c:3]1[cH:4][cH:5][c:6]([N:9]([c:10]2[cH:11][cH:12][c:13]3[cH:14][cH:15][c:16]4[cH:17][cH:18][cH:19][c:20]5[cH:21][cH:22][c:23]2[c:24]3[c:25]45)[c:26]2[cH:27][cH:28][c:29]([CH3:32])[cH:30][cH:31]2)[cH:7][cH:8]1.[OH2:59]>>[CH:1]([c:3]1[cH:4][cH:5][c:6]([N:9]([c:10]2[cH:11][cH:12][c:13]3[cH:14][cH:15][c:16]4[cH:17][cH:18][cH:19][c:20]5[cH:21][cH:22][c:23]2[c:24]3[c:25]45)[c:26]2[cH:27][cH:28][c:29]([CH3:32])[cH:30][cH:31]2)[cH:7][cH:8]1)=[CH:33][c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 887MethanolHCID 962WaterHCID 6228DimethylformamideHCID 14122Diethyl benzylphosphonateHCID 15766773HCID 15766773, compound

Product 1

HCID 54213443HCID 54213443, compound

Sources & evidence

ORD record
ord-9279be00d8574d3db47e7dadf9a7c84b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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