Sodium ion → HCID 53469824, compound

HRID 1118756Notes

Reaction equation

HRID 1118756 reaction equation
[CH3:51][CH2:52][O:53][C:54](=[O:55])[CH3:56].[I:1][c:2]1[c:3]2[c:4]([c:5]([NH2:8])[n:6][cH:7]1)[c:9](-[c:12]1[cH:13][c:14]3[c:18]([cH:19][cH:20]1)[N:17]([C:21]([CH2:22][c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1)=[O:29])[CH2:16][CH2:15]3)[cH:10][s:11]2.[Na+:39].[Na+:40].[O-:41][C:42](=[O:43])[O-:44].[O:45]1[CH2:46][CH2:47][O:48][CH2:49][CH2:50]1.[OH2:57].[n:30]1[cH:31][c:32]([B:36]([OH:37])[OH:38])[cH:33][cH:34][cH:35]1>>[c:2]1(-[c:32]2[cH:31][n:30][cH:35][cH:34][cH:33]2)[c:3]2[c:4]([c:5]([NH2:8])[n:6][cH:7]1)[c:9](-[c:12]1[cH:13][c:14]3[c:18]([cH:19][cH:20]1)[N:17]([C:21]([CH2:22][c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1)=[O:29])[CH2:16][CH2:15]3)[cH:10][s:11]2

Participants

8

Reactant 7

HCID 923Sodium ion2×HCID 962WaterHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 27343783-Pyridinylboronic acidHCID 66561009HCID 66561009, compound

Product 1

HCID 53469824HCID 53469824, compound

Sources & evidence

ORD record
ord-13f9c587ff6c4640b451471097a2efd8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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