Ethanol → HCID 57584965, compound

HRID 1124742Notes

Reaction equation

HRID 1124742 reaction equation
[Br:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[c:7]1[nH:8][c:9](=[O:11])[s:10]2.[CH3:12][C:13]1([CH3:14])[C:15]([CH3:16])([CH3:17])[O:18][B:19]([c:20]2[cH:21][c:22]3[c:23]([n:24][c:25]([NH:27][C:28]([CH3:29])=[O:30])[s:26]3)[cH:31][cH:32]2)[O:33]1.[CH3:40][O:41][CH2:42][CH2:43][O:44][CH3:45].[CH3:46][CH2:47][OH:48].[Na+:34].[Na+:35].[O-:36][C:37](=[O:38])[O-:39].[Pd:49]([Cl:50])[Cl:51].[c:52]1([P:53]([c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)[c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)[cH:66][cH:67][cH:68][cH:69][cH:70]1.[c:71]1([P:72]([c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)[c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)[cH:85][cH:86][cH:87][cH:88][cH:89]1>>[c:2]1(-[c:20]2[cH:21][c:22]3[c:23]([n:24][c:25]([NH:27][C:28]([CH3:29])=[O:30])[s:26]3)[cH:31][cH:32]2)[cH:3][cH:4][cH:5][c:6]2[c:7]1[nH:8][c:9](=[O:11])[s:10]2

Participants

9

Reactant 8

HCID 702EthanolHCID 923Sodium ion2×HCID 80711,2-DimethoxyethaneHCID 11776Triphenylphosphine2×HCID 19660Carbonate IonHCID 24290Palladium ChlorideHCID 151420034-Bromo-1,3-benzothiazol-2(3H)-oneHCID 51354026n-(6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[d]thiazol-2-yl)acetamide

Product 1

HCID 57584965HCID 57584965, compound

Sources & evidence

ORD record
ord-aa160ef0ddc344b995d563e579bd7acd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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