Ethanol → HCID 86647506, compound

HRID 671830Notes

Reaction equation

HRID 671830 reaction equation
[Br:1][CH:2]([C:3](=[O:4])[O:5][CH2:6][CH3:7])[c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1.[C:14](=[O:15])([O-:16])[O-:17].[CH3:20][N:21]([CH3:22])[CH:23]=[O:24].[CH3:25][c:26]1[c:27]([CH2:37][O:38][c:39]2[c:40]([O:60][CH3:61])[cH:41][c:42]([CH2:43][n:44]3[c:45]4[cH:46][cH:47][cH:48][cH:49][c:50]4[c:51]4[c:52]([OH:57])[cH:53][cH:54][cH:55][c:56]34)[cH:58][cH:59]2)[n:28][c:29](-[c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[o:30]1.[CH3:62][CH2:63][OH:64].[K+:18].[K+:19].[OH2:65]>>[CH:2]([C:3](=[O:4])[O:5][CH2:6][CH3:7])([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)[O:57][c:52]1[c:51]2[c:50]3[c:45]([n:44]([CH2:43][c:42]4[cH:41][c:40]([O:60][CH3:61])[c:39]([O:38][CH2:37][c:27]5[c:26]([CH3:25])[o:30][c:29](-[c:31]6[cH:32][cH:33][cH:34][cH:35][cH:36]6)[n:28]5)[cH:59][cH:58]4)[c:56]2[cH:55][cH:54][cH:53]1)[cH:46][cH:47][cH:48][cH:49]3

Participants

8

Reactant 7

HCID 702EthanolHCID 813Potassium Cation2×HCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 97780Ethyl bromophenylacetateHCID 59571732HCID 59571732, compound

Product 1

HCID 86647506HCID 86647506, compound

Sources & evidence

ORD record
ord-530ee8f2c7844145ae9cea6f049d3548
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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