Chloride → HCID 25204729, compound

HRID 188299Notes

Reaction equation

HRID 188299 reaction equation
[Br:1][c:2]1[n:3][c:4]2[n:5]([n:6][c:7]([N:10]3[CH2:11][CH2:12][CH:13]([N:16]4[CH2:17][CH2:18][CH2:19][CH2:20]4)[CH2:14][CH2:15]3)[cH:8][cH:9]2)[c:21]1-[c:22]1[cH:23][n:24][n:25][cH:26][cH:27]1.[C:39](=[O:40])([O-:41])[O-:42].[CH3:53][CH2:54][O:55][C:56](=[O:57])[CH3:58].[Cl-:46].[Cs+:43].[Cs+:44].[F:28][c:29]1[cH:30][c:31]([B:36]([OH:37])[OH:38])[cH:32][c:33]([F:35])[cH:34]1.[Na+:45].[O:47]1[CH2:48][CH2:49][O:50][CH2:51][CH2:52]1>>[c:2]1(-[c:31]2[cH:30][c:29]([F:28])[cH:34][c:33]([F:35])[cH:32]2)[n:3][c:4]2[n:5]([n:6][c:7]([N:10]3[CH2:11][CH2:12][CH:13]([N:16]4[CH2:17][CH2:18][CH2:19][CH2:20]4)[CH2:14][CH2:15]3)[cH:8][cH:9]2)[c:21]1-[c:22]1[cH:23][n:24][n:25][cH:26][cH:27]1

Participants

9

Reactant 8

HCID 312ChlorideHCID 923Sodium ionHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 104967Cesium cation2×HCID 2734338(3,5-Difluorophenyl)boronic acidHCID 59367710HCID 59367710, compound

Product 1

HCID 25204729HCID 25204729, compound

Sources & evidence

ORD record
ord-de797c7242274caf9947de85da410632
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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