Water → HCID 59383116, compound

HRID 191437Notes

Reaction equation

HRID 191437 reaction equation
[C:13](=[O:14])([O-:15])[O-:16].[C:19]([c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1)([c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1)=[N:32][c:33]1[s:34][c:35]([Br:39])[c:36]([CH3:38])[n:37]1.[C:1]([CH3:2])(=[O:3])[c:4]1[cH:5][cH:6][c:7]([B:10]([OH:11])[OH:12])[cH:8][cH:9]1.[Cs+:17].[Cs+:18].[O:41]1[CH2:42][CH2:43][O:44][CH2:45][CH2:46]1.[OH2:40]>>[C:1]([CH3:2])(=[O:3])[c:4]1[cH:5][cH:6][c:7](-[c:35]2[s:34][c:33]([N:32]=[C:19]([c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)[c:26]3[cH:27][cH:28][cH:29][cH:30][cH:31]3)[n:37][c:36]2[CH3:38])[cH:8][cH:9]1

Participants

7

Reactant 6

HCID 962WaterHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 104967Cesium cation2×HCID 37021224-Acetylphenylboronic acidHCID 59383114HCID 59383114, compound

Product 1

HCID 59383116HCID 59383116, compound

Sources & evidence

ORD record
ord-d7603ebfc32e49019ed4efa1f8667eea
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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