Acetic Acid → HCID 178434913, compound

HRID 2341612Notes

Reaction equation

HRID 2341612 reaction equation
[C:1]([CH3:2])(=[O:3])[O:4][CH:5]1[CH2:6][CH:7]([n:12]2[c:13](=[O:14])[nH:15][c:16](=[O:17])[c:18]([CH3:19])[cH:20]2)[O:8][CH:9]1[CH2:10][I:11].[C:40]([OH:41])(=[O:42])[CH3:43].[CH2:62]1[O:63][CH2:64][CH2:65][CH2:66]1.[CH3:67][OH:68].[K+:56].[K+:57].[O-:58][C:59]([O-:60])=[O:61].[O:44]=[C:45]([O:46][CH2:47][CH3:48])[N:49]=[N:50][C:51]([O:52][CH2:53][CH3:54])=[O:55].[c:21]1([P:22]([c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[cH:35][cH:36][cH:37][cH:38][cH:39]1>>[C:1]([CH3:2])(=[O:3])[O:4][CH:5]1[CH2:6][CH:7]([n:12]2[c:13](=[O:14])[nH:15][c:16](=[O:17])[c:18]([CH3:19])[cH:20]2)[O:8][C:9]1=[CH2:10]

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 813Potassium Cation2×HCID 887MethanolHCID 8028TetrahydrofuranHCID 11776TriphenylphosphineHCID 19660Carbonate IonHCID 220568ethyl N-ethoxycarbonyliminocarbamateHCID 14523134HCID 14523134, compound

Product 1

HCID 178434913HCID 178434913, compound

Sources & evidence

ORD record
ord-294faf2b8d3b444c83a00d7d3a10c5a8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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