Ethanol → HCID 24889581, compound

HRID 1559443Notes

Reaction equation

HRID 1559443 reaction equation
[Br:1][c:2]1[cH:3][n:4]([CH2:20][CH2:21][O:22][CH3:23])[c:5](=[N:7][C:8](=[O:9])[C:10]23[CH2:11][CH:12]4[CH2:13][CH:14]([CH2:15][CH:16]([CH2:17]2)[CH2:18]4)[CH2:19]3)[s:6]1.[C:36](=[O:37])([O-:38])[O-:39].[CH3:42][O:43][CH2:44][CH2:45][O:46][CH3:47].[CH3:49][CH2:50][OH:51].[Na+:40].[Na+:41].[OH2:48].[Pd:52]([Cl:53])[Cl:54].[c:55]1([P:56]([c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)[c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)[cH:69][cH:70][cH:71][cH:72][cH:73]1.[c:74]1([P:75]([c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)[c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)[cH:88][cH:89][cH:90][cH:91][cH:92]1.[s:24]1[c:25]2[c:26]([cH:27][c:28]1[B:29]([OH:30])[OH:31])[cH:32][cH:33][cH:34][cH:35]2>>[c:2]1(-[c:28]2[s:24][c:25]3[c:26]([cH:27]2)[cH:32][cH:33][cH:34][cH:35]3)[cH:3][n:4]([CH2:20][CH2:21][O:22][CH3:23])[c:5](=[N:7][C:8](=[O:9])[C:10]23[CH2:11][CH:12]4[CH2:13][CH:14]([CH2:15][CH:16]([CH2:17]2)[CH2:18]4)[CH2:19]3)[s:6]1

Participants

10

Reactant 9

HCID 702EthanolHCID 923Sodium ion2×HCID 962WaterHCID 2359Benzo(B)Thiophene-2-Boronic AcidHCID 80711,2-DimethoxyethaneHCID 11776Triphenylphosphine2×HCID 19660Carbonate IonHCID 24290Palladium ChlorideHCID 24890600n-[(2z)-5-Bromo-3-(2-methoxyethyl)-1,3-thiazol-2(3h)-ylidene]adamantane-1-carboxamide

Product 1

HCID 24889581HCID 24889581, compound

Sources & evidence

ORD record
ord-11738dea9cd94989aad4c560060a9799
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

Loading…