Sodium ion → HCID 57990376, compound

HRID 310651Notes

Reaction equation

HRID 310651 reaction equation
[C:36](=[O:37])([O-:38])[O-:39].[CH3:49][CH2:50][O:51][C:52]([CH3:53])=[O:54].[Cl:1][c:2]1[n:3][c:4]([NH:22][CH:23]2[CH2:24][CH2:25]2)[c:5]2[c:6]([n:7]1)[n:8]([S:12](=[O:13])(=[O:14])[c:15]1[cH:16][cH:17][c:18]([CH3:19])[cH:20][cH:21]1)[cH:9][c:10]2[I:11].[Na+:40].[Na+:41].[O:43]1[CH2:44][CH2:45][O:46][CH2:47][CH2:48]1.[OH2:42].[OH:26][B:27]([OH:28])[c:29]1[cH:30][cH:31][c:32]([F:33])[cH:34][cH:35]1>>[Cl:1][c:2]1[n:3][c:4]([NH:22][CH:23]2[CH2:24][CH2:25]2)[c:5]2[c:6]([n:7]1)[n:8]([S:12](=[O:13])(=[O:14])[c:15]1[cH:16][cH:17][c:18]([CH3:19])[cH:20][cH:21]1)[cH:9][c:10]2-[c:29]1[cH:30][cH:31][c:32]([F:33])[cH:34][cH:35]1

Participants

8

Reactant 7

HCID 923Sodium ion2×HCID 962WaterHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 2856454-Fluorophenylboronic acidHCID 579903252-chloro-N-cyclopropyl-5-iodo-7-tosyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

Product 1

HCID 57990376HCID 57990376, compound

Sources & evidence

ORD record
ord-78aaf742f4854459bd9120f6fdec8cac
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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