Dimethyl Sulfoxide → HCID 46896613, compound

HRID 121796Notes

Reaction equation

HRID 121796 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][n:9]2[n:10][c:11]3[c:21](=[O:22])[n:20](-[c:23]4[c:24]([CH3:29])[cH:25][cH:26][cH:27][cH:28]4)[n:19][c:12]-3[c:13]3[cH:14][cH:15][cH:16][cH:17][c:18]23)[cH:6][n:7]1.[C:79](=[O:80])([O-:81])[O-:82].[CH3:30][n:31]1[n:32][cH:33][c:34]([B:36]2[O:37][C:38]([CH3:39])([CH3:40])[C:41]([CH3:42])([CH3:43])[O:44]2)[cH:35]1.[CH3:85][S:86](=[O:87])[CH3:88].[CH:45]1([P:46]([CH:47]2[CH2:48][CH2:49][CH2:50][CH2:51][CH2:52]2)[c:53]2[cH:54][cH:55][cH:56][cH:57][c:58]2-[c:59]2[c:60]([CH:61]([CH3:62])[CH3:63])[cH:64][c:65]([CH:66]([CH3:67])[CH3:68])[cH:69][c:70]2[CH:71]([CH3:72])[CH3:73])[CH2:74][CH2:75][CH2:76][CH2:77][CH2:78]1.[K+:83].[K+:84].[OH2:89]>>[c:2]1(-[c:34]2[cH:33][n:32][n:31]([CH3:30])[cH:35]2)[cH:3][cH:4][c:5]([CH2:8][n:9]2[n:10][c:11]3[c:21](=[O:22])[n:20](-[c:23]4[c:24]([CH3:29])[cH:25][cH:26][cH:27][cH:28]4)[n:19][c:12]-3[c:13]3[cH:14][cH:15][cH:16][cH:17][c:18]23)[cH:6][n:7]1

Participants

8

Reactant 7

HCID 679Dimethyl SulfoxideHCID 813Potassium Cation2×HCID 962WaterHCID 19660Carbonate IonHCID 27739871-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazoleHCID 111557942-Dicyclohexylphosphino-2',4',6'-triisoprophylbiphenylHCID 468966115-[(6-Bromopyridin-3-yl)methyl]-2-(2-methylphenyl)-2,5-dihydro-3H-pyrazolo[4,3-c]cinnolin-3-one

Product 1

HCID 46896613HCID 46896613, compound

Sources & evidence

ORD record
ord-ab51292df237477299db0546e23c7fa1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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