Bromide ion → 9-bromo-3-(2-bromoacetyl)-10,11-dihydro-5H-dibenzo[c,g]chromen-8(9H)-one

HRID 164531Notes

Reaction equation

HRID 164531 reaction equation
[Br-:31].[Br:1][CH:2]1[C:3](=[O:24])[c:4]2[c:5]([cH:6][c:7]3[c:12]([cH:13]2)[O:11][CH2:10][c:9]2[c:8]-3[cH:17][cH:16][c:15]([CH:18]([CH2:19][Br:20])[OH:21])[cH:14]2)[CH2:22][CH2:23]1.[C:25](=[O:26])([OH:27])[O-:28].[CH3:32][C:33]1([CH3:42])[N:34]([O:35])[C:36]([CH3:37])([CH3:38])[CH2:39][CH2:40][CH2:41]1.[CH:46]([OH:47])([CH3:48])[CH3:49].[Cl:43][CH2:44][Cl:45].[Na+:29].[Na+:30].[OH2:50]>>[Br:1][CH:2]1[C:3](=[O:24])[c:4]2[c:5]([cH:6][c:7]3[c:12]([cH:13]2)[O:11][CH2:10][c:9]2[c:8]-3[cH:17][cH:16][c:15]([C:18]([CH2:19][Br:20])=[O:21])[cH:14]2)[CH2:22][CH2:23]1

Participants

9

Reactant 8

HCID 259Bromide ionHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 962WaterHCID 3776IsopropanolHCID 6344DichloromethaneHCID 5499762,2,6,6-Tetramethylpiperidin-1-olHCID 866883739-Bromo-3-(2-bromo-1-hydroxyethyl)-10,11-dihydro-5H-benzo[d]naphtho[2,3-b]pyran-8(9H)-one

Product 1

HCID 866883729-bromo-3-(2-bromoacetyl)-10,11-dihydro-5H-dibenzo[c,g]chromen-8(9H)-one

Sources & evidence

ORD record
ord-bcf1a7c4ce974dbf9fc9f2bbb2849dd9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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