Sodium ion → 5-(2,8-Difluoro-10,11-dihydro-dibenzo[a,d]cyclohepten-5-ylidenemethyl)-1,3-dihydro-benzoimidazol-2-one

HRID 2310990Notes

Reaction equation

HRID 2310990 reaction equation
[Br:20][c:21]1[cH:22][cH:23][c:24]2[nH:25][c:26](=[O:27])[nH:28][c:29]2[cH:30]1.[Br:31][CH:32]=[C:33]1[c:34]2[c:35]([cH:45][c:46]([F:49])[cH:47][cH:48]2)[CH2:36][CH2:37][c:38]2[c:39]1[cH:40][cH:41][c:42]([F:44])[cH:43]2.[C:50](=[O:51])([O-:52])[O-:53].[CH3:1][C:2]1([CH3:3])[C:4]([CH3:5])([CH3:6])[O:7][B:8]([c:9]2[cH:10][c:11]3[c:12]([nH:13][c:14](=[O:16])[nH:15]3)[cH:17][cH:18]2)[O:19]1.[Na+:54].[Na+:55].[O:56]1[CH2:57][CH2:58][O:59][CH2:60][CH2:61]1>>[c:9]1([CH:32]=[C:33]2[c:34]3[c:35]([cH:45][c:46]([F:49])[cH:47][cH:48]3)[CH2:36][CH2:37][c:38]3[c:39]2[cH:40][cH:41][c:42]([F:44])[cH:43]3)[cH:10][c:11]2[c:12]([nH:13][c:14](=[O:16])[nH:15]2)[cH:17][cH:18]1

Participants

7

Reactant 6

HCID 923Sodium ion2×HCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 122280605-Bromo-1,3-dihydro-2H-benzimidazol-2-oneHCID 438110655-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzo[d]imidazol-2(3H)-oneHCID 688911995-bromomethylene-2,8-difluoro-10,11-dihydro-5H-dibenzo[a,d]cycloheptene

Product 1

HCID 99075895-(2,8-Difluoro-10,11-dihydro-dibenzo[a,d]cyclohepten-5-ylidenemethyl)-1,3-dihydro-benzoimidazol-2-one

Sources & evidence

ORD record
ord-85733c9f71ce44078616d1618c7dc77b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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