Chloride → HCID 24936343, compound

HRID 692758Notes

Reaction equation

HRID 692758 reaction equation
[C:46]([P:47]([C:48]([CH3:49])([CH3:50])[CH3:51])[c:52]1[cH:53][cH:54][cH:55][cH:56][c:57]1-[c:58]1[cH:59][cH:60][cH:61][cH:62][cH:63]1)([CH3:64])([CH3:65])[CH3:66].[CH:79]([OH:80])([CH3:81])[CH3:82].[CH:83]([Cl:84])([Cl:85])[Cl:86].[Cl-:45].[F:1][c:2]1[c:3](-[c:17]2[cH:18][c:19]3[c:20]([s:21]2)[c:22]([B:26]2[O:27][C:28]([CH3:29])([CH3:30])[C:31]([CH3:32])([CH3:33])[O:34]2)[cH:23][cH:24][cH:25]3)[n:4][c:5]([NH:8][CH2:9][CH2:10][N:11]2[C:12](=[O:16])[NH:13][CH2:14][CH2:15]2)[n:6][cH:7]1.[F:35][c:36]1[cH:37][c:38]([I:44])[c:39]([CH2:42][OH:43])[cH:40][n:41]1.[Na+:67].[Na+:68].[O-:69][C:70](=[O:71])[O-:72].[O:73]1[CH2:74][CH2:75][O:76][CH2:77][CH2:78]1>>[F:1][c:2]1[c:3](-[c:17]2[cH:18][c:19]3[c:20]([s:21]2)[c:22](-[c:38]2[cH:37][c:36]([F:35])[n:41][cH:40][c:39]2[CH2:42][OH:43])[cH:23][cH:24][cH:25]3)[n:4][c:5]([NH:8][CH2:9][CH2:10][N:11]2[C:12](=[O:16])[NH:13][CH2:14][CH2:15]2)[n:6][cH:7]1

Participants

10

Reactant 9

HCID 312ChlorideHCID 923Sodium ion2×HCID 3776IsopropanolHCID 6212ChloroformHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 27342152-(Di-tert-butylphosphino)biphenylHCID 666734811-(2-{5-Fluoro-4-[7-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzo[b]thiophen-2-yl]-pyrimidin-2-ylamino}-ethyl)-imidazolidin-2-oneHCID 66674391HCID 66674391, compound

Product 1

HCID 24936343HCID 24936343, compound

Sources & evidence

ORD record
ord-72df7395339041b6a266f6d4754451da
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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