Water → HCID 58204598, compound

HRID 1153179Notes

Reaction equation

HRID 1153179 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:23]1)-[c:7]1[n:8]([cH:12][c:13](-[c:15]3[n:16][cH:17][n:18][n:19]3[CH:20]([CH3:21])[CH3:22])[n:14]1)[CH2:9][CH2:10][O:11]2.[C:34](=[O:35])([O-:36])[O-:37].[Cl:24][c:25]1[cH:26][cH:27][c:28]([B:31]([OH:32])[OH:33])[cH:29][cH:30]1.[Cs+:38].[Cs+:39].[O:41]1[CH2:42][CH2:43][O:44][CH2:45][CH2:46]1.[OH2:40]>>[c:2]1(-[c:28]2[cH:27][cH:26][c:25]([Cl:24])[cH:30][cH:29]2)[cH:3][cH:4][c:5]2[c:6]([cH:23]1)-[c:7]1[n:8]([cH:12][c:13](-[c:15]3[n:16][cH:17][n:18][n:19]3[CH:20]([CH3:21])[CH3:22])[n:14]1)[CH2:9][CH2:10][O:11]2

Participants

7

Reactant 6

HCID 962WaterHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 742994-Chlorophenylboronic acidHCID 104967Cesium cation2×HCID 5820501010-bromo-2-(1-isopropyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepine

Product 1

HCID 58204598HCID 58204598, compound

Sources & evidence

ORD record
ord-f156aa2c6ba6427db023b7ef941834bc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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