Sodium ion → HCID 178470603, compound

HRID 1536957Notes

Reaction equation

HRID 1536957 reaction equation
[C:38](=[O:39])([O-:40])[O-:41].[CH2:32]1[O:33][CH2:34][CH2:35][O:36][CH2:37]1.[CH3:44][O:45][c:46]1[cH:47][cH:48][c:49]([B:52]([OH:53])[OH:54])[cH:50][cH:51]1.[CH3:55][c:56]1[cH:57][cH:58][cH:59][cH:60][cH:61]1.[Cl:1][c:2]1[c:3]([C:28]([F:29])([F:30])[F:31])[cH:4][cH:5][c:6]([NH:8][CH2:9][CH2:10][CH2:11][O:12][c:13]2[cH:14][c:15]3[c:19]([cH:20][cH:21]2)[CH:18]([CH2:22][C:23](=[O:24])[O:25][CH2:26][CH3:27])[CH2:17][CH2:16]3)[n:7]1.[Na+:42].[Na+:43].[OH2:62]>>[c:2]1(-[c:49]2[cH:48][cH:47][c:46]([O:45][CH3:44])[cH:51][cH:50]2)[c:3]([C:28]([F:29])([F:30])[F:31])[cH:4][cH:5][c:6]([NH:8][CH2:9][CH2:10][CH2:11][O:12][c:13]2[cH:14][c:15]3[c:19]([cH:20][cH:21]2)[CH:18]([CH2:22][C:23](=[O:24])[O:25][CH2:26][CH3:27])[CH2:17][CH2:16]3)[n:7]1

Participants

8

Reactant 7

HCID 923Sodium ion2×HCID 962WaterHCID 1140TolueneHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 201262(4-Methoxyphenyl)boronic acidHCID 178470604HCID 178470604, compound

Product 1

HCID 178470603HCID 178470603, compound

Sources & evidence

ORD record
ord-e7664406a640462f80cb6533a50a417e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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