Acetic Acid → HCID 178475245, compound

HRID 173814Notes

Reaction equation

HRID 173814 reaction equation
[C:64](=[O:65])([O-:66])[OH:67].[CH3:74][C:75](=[O:76])[OH:77].[CH:34]([c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1)([c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1)[CH:47]1[CH2:48][N:49]([C:57](=[O:58])[O:59][C:60]([CH3:61])([CH3:62])[CH3:63])[CH2:50][CH:51]2[N:52]1[CH2:53][CH:54]([OH:56])[CH2:55]2.[Na+:68].[O:20]=[C:21]([O:22][CH:23]([CH3:24])[CH3:25])[N:29]=[N:30][C:31]([O:26][CH:27]([CH3:28])[CH3:32])=[O:33].[O:69]1[CH2:70][CH2:71][CH2:72][CH2:73]1.[c:1]1([P:2]([c:3]2[cH:4][cH:5][cH:6][cH:7][cH:8]2)[c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[cH:15][cH:16][cH:17][cH:18][cH:19]1>>[O:26]=[C:27]([CH3:28])[O:56][CH:54]1[CH2:53][N:52]2[CH:47]([CH:34]([c:35]3[cH:36][cH:37][cH:38][cH:39][cH:40]3)[c:41]3[cH:42][cH:43][cH:44][cH:45][cH:46]3)[CH2:48][N:49]([C:57](=[O:58])[O:59][C:60]([CH3:61])([CH3:62])[CH3:63])[CH2:50][CH:51]2[CH2:55]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 8028TetrahydrofuranHCID 11776TriphenylphosphineHCID 75555Diisopropyl diazene-1,2-dicarboxylateHCID 178451507HCID 178451507, compound

Product 1

HCID 178475245HCID 178475245, compound

Sources & evidence

ORD record
ord-5d26c0e56bc645a19e5ce3233324060f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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