Sodium ion → 5-(2,8-Difluoro-10,11-dihydro-dibenzo[a,d]cyclohepten-5-ylidenemethyl)-1-(2-morpholin-4-yl-ethyl)-1,3-dihydro-benzoimidazol-2-one

HRID 151112Notes

Reaction equation

HRID 151112 reaction equation
[Br:28][CH:29]=[C:30]1[c:31]2[c:32]([cH:42][c:43]([F:46])[cH:44][cH:45]2)[CH2:33][CH2:34][c:35]2[c:36]1[cH:37][cH:38][c:39]([F:41])[cH:40]2.[C:47](=[O:48])([O-:49])[O-:50].[Na+:51].[Na+:52].[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:53]1[CH2:54][CH2:55][O:56][CH2:57][CH2:58]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:42][c:43]([F:46])[cH:44][cH:45]4)[CH2:33][CH2:34][c:35]4[c:36]2[cH:37][cH:38][c:39]([F:41])[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 688911995-bromomethylene-2,8-difluoro-10,11-dihydro-5H-dibenzo[a,d]cycloheptene

Product 1

HCID 597702555-(2,8-Difluoro-10,11-dihydro-dibenzo[a,d]cyclohepten-5-ylidenemethyl)-1-(2-morpholin-4-yl-ethyl)-1,3-dihydro-benzoimidazol-2-one

Sources & evidence

ORD record
ord-2e93086f67514ec4b3edc21d911eff79
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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