Ethanol → HCID 178527146, compound

HRID 178840Notes

Reaction equation

HRID 178840 reaction equation
[CH3:44][CH2:45][OH:46].[Cl:1][c:2]1[cH:3][c:4]([B:9]([OH:10])[OH:11])[cH:5][cH:6][c:7]1[F:8].[F:12][C:13]([F:14])([F:15])[S:16]([O:17][c:18]1[cH:19][cH:20][c:21]([CH:24]2[CH2:25][CH2:26][CH2:27][N:28]3[C:29]2=[N:30][S:31](=[O:34])(=[O:35])[CH2:32][CH2:33]3)[cH:22][cH:23]1)(=[O:36])=[O:37].[Na+:38].[Na+:39].[O-:40][C:41](=[O:42])[O-:43].[O:48]=[CH:49][N:50]([CH3:51])[CH3:52].[OH2:47].[cH:53]1[cH:54][cH:55][c:56]([P:57]([Pd:58]([P:59]([c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)([c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)[c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)([P:78]([c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)([c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)[c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)[P:97]([c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)([c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)[c:110]2[cH:111][cH:112][cH:113][cH:114][cH:115]2)([c:116]2[cH:117][cH:118][cH:119][cH:120][cH:121]2)[c:122]2[cH:123][cH:124][cH:125][cH:126][cH:127]2)[cH:128][cH:129]1>>[Cl:1][c:2]1[cH:3][c:4](-[c:18]2[cH:19][cH:20][c:21]([CH:24]3[CH2:25][CH2:26][CH2:27][N:28]4[C:29]3=[N:30][S:31](=[O:34])(=[O:35])[CH2:32][CH2:33]4)[cH:22][cH:23]2)[cH:5][cH:6][c:7]1[F:8]

Participants

9

Reactant 8

HCID 702EthanolHCID 923Sodium ion2×HCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 27346603-Chloro-4-fluorophenylboronic Acid (contains varying amounts of Anhydride)HCID 87169530[4-(2,2-Dioxo-3,4,6,7,8,9-hexahydropyrido[2,1-c][1,2,4]thiadiazin-9-yl)phenyl] trifluoromethanesulfonateHCID 178420554HCID 178420554, compound

Product 1

HCID 178527146HCID 178527146, compound

Sources & evidence

ORD record
ord-dd26150b65c74c27bd99220990a5ef2a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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