Sodium ion → 5-(3-Fluoro-6H-dibenzo[b,e]oxepin-11-ylidenemethyl)-1-(2-morpholin-4-yl-ethyl)-1,3-dihydro-benzoimidazol-2-one

HRID 286667Notes

Reaction equation

HRID 286667 reaction equation
[Br:28][CH:29]=[C:30]1[c:31]2[c:32]([cH:41][c:42]([F:45])[cH:43][cH:44]2)[O:33][CH2:34][c:35]2[c:36]1[cH:37][cH:38][cH:39][cH:40]2.[C:46](=[O:47])([O-:48])[O-:49].[Na+:50].[Na+:51].[O:1]1[CH2:2][CH2:3][N:4]([CH2:7][CH2:8][n:9]2[c:10](=[O:27])[nH:11][c:12]3[c:13]2[cH:14][cH:15][c:16]([B:18]2[O:19][C:20]([CH3:21])([CH3:22])[C:23]([CH3:24])([CH3:25])[O:26]2)[cH:17]3)[CH2:5][CH2:6]1.[O:52]1[CH2:53][CH2:54][O:55][CH2:56][CH2:57]1>>[O:1]1[CH2:2][CH2:3][N:4]([CH2:7][CH2:8][n:9]2[c:10](=[O:27])[nH:11][c:12]3[c:13]2[cH:14][cH:15][c:16]([CH:29]=[C:30]2[c:31]4[c:32]([cH:41][c:42]([F:45])[cH:43][cH:44]4)[O:33][CH2:34][c:35]4[c:36]2[cH:37][cH:38][cH:39][cH:40]4)[cH:17]3)[CH2:5][CH2:6]1

Participants

6

Reactant 5

HCID 923Sodium ion2×HCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 597700961-(2-Morpholin-4-yl-ethyl)-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1,3-dihydro-benzoimidazol-2-oneHCID 6733469611-Bromomethylene-3-fluoro-6,11-dihydro-dibenzo[b,e]oxepine

Product 1

HCID 688871105-(3-Fluoro-6H-dibenzo[b,e]oxepin-11-ylidenemethyl)-1-(2-morpholin-4-yl-ethyl)-1,3-dihydro-benzoimidazol-2-one

Sources & evidence

ORD record
ord-670d4a90b52144359d2c87731e41443e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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