Sodium ion → HCID 178470603, compound

HRID 669162Notes

Reaction equation

HRID 669162 reaction equation
[C:34](=[O:35])([O-:36])[O-:37].[CH2:1][CH3:2].[CH2:59]1[O:60][CH2:61][CH2:62][O:63][CH2:64]1.[CH3:40][O:41][c:42]1[cH:43][cH:44][c:45]([B:48]([OH:49])[OH:50])[cH:46][cH:47]1.[CH3:51][c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1.[Cl:3][c:4]1[c:5]([C:30]([F:31])([F:32])[F:33])[cH:6][cH:7][c:8]([NH:10][CH2:11][CH2:12][CH2:13][O:14][c:15]2[cH:16][c:17]3[c:21]([cH:22][cH:23]2)[CH:20]([CH2:24][C:25](=[O:26])[O:27][CH2:28][CH3:29])[CH2:19][CH2:18]3)[n:9]1.[Na+:38].[Na+:39].[OH2:58]>>[c:4]1(-[c:45]2[cH:44][cH:43][c:42]([O:41][CH3:40])[cH:47][cH:46]2)[c:5]([C:30]([F:31])([F:32])[F:33])[cH:6][cH:7][c:8]([NH:10][CH2:11][CH2:12][CH2:13][O:14][c:15]2[cH:16][c:17]3[c:21]([cH:22][cH:23]2)[CH:20]([CH2:24][C:25](=[O:26])[O:27][CH2:28][CH3:29])[CH2:19][CH2:18]3)[n:9]1

Participants

9

Reactant 8

HCID 923Sodium ion2×HCID 962WaterHCID 1140TolueneHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 123138EthylHCID 201262(4-Methoxyphenyl)boronic acidHCID 178470604HCID 178470604, compound

Product 1

HCID 178470603HCID 178470603, compound

Sources & evidence

ORD record
ord-14c6e291c7394e20a51b7bf137d61842
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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