Dimethyl Sulfoxide → 2-Methyl-1-(4-{2-[1-(2,2,2-trifluoro-ethyl)-1H-imidazol-2-yl]-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulen-8-yl}-pyrazol-1-yl)-propan-2-ol

HRID 1118884Notes

Reaction equation

HRID 1118884 reaction equation
[Br:1][c:2]1[cH:3][c:4]2[c:5]([cH:24][cH:25]1)-[c:6]1[n:7][c:8](-[c:14]3[n:15]([CH2:19][C:20]([F:21])([F:22])[F:23])[cH:16][cH:17][n:18]3)[s:9][c:10]1[CH2:11][CH2:12][O:13]2.[C:29](=[O:30])([O-:31])[O-:32].[CH3:132][S:133]([CH3:134])=[O:135].[CH3:26][C:27]#[N:28].[CH3:35][C:36]([CH2:37][n:38]1[n:39][cH:40][c:41]([B:43]2[O:44][C:45]([CH3:46])([CH3:47])[C:48]([CH3:49])([CH3:50])[O:51]2)[cH:42]1)([CH3:52])[OH:53].[K+:33].[K+:34].[OH2:54].[cH:55]1[cH:56][cH:57][c:58]([P:59]([Pd:60]([P:61]([c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)([c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)[c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)([P:80]([c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)([c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)[c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)[P:99]([c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)([c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)[c:112]2[cH:113][cH:114][cH:115][cH:116][cH:117]2)([c:118]2[cH:119][cH:120][cH:121][cH:122][cH:123]2)[c:124]2[cH:125][cH:126][cH:127][cH:128][cH:129]2)[cH:130][cH:131]1>>[c:2]1(-[c:41]2[cH:40][n:39][n:38]([CH2:37][C:36]([CH3:35])([CH3:52])[OH:53])[cH:42]2)[cH:3][c:4]2[c:5]([cH:24][cH:25]1)-[c:6]1[n:7][c:8](-[c:14]3[n:15]([CH2:19][C:20]([F:21])([F:22])[F:23])[cH:16][cH:17][n:18]3)[s:9][c:10]1[CH2:11][CH2:12][O:13]2

Participants

9

Reactant 8

HCID 679Dimethyl SulfoxideHCID 813Potassium Cation2×HCID 962WaterHCID 6342AcetonitrileHCID 19660Carbonate IonHCID 582041312-methyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]propan-2-olHCID 670506488-Bromo-2-[1-(2,2,2-trifluoro-ethyl)-1H-imidazol-2-yl]-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azuleneHCID 178420554HCID 178420554, compound

Product 1

HCID 582040352-Methyl-1-(4-{2-[1-(2,2,2-trifluoro-ethyl)-1H-imidazol-2-yl]-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulen-8-yl}-pyrazol-1-yl)-propan-2-ol

Sources & evidence

ORD record
ord-b75c5b30e6e24e889855577922e44be0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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