Potassium Cation → HCID 66758476, compound

HRID 2339270Notes

Reaction equation

HRID 2339270 reaction equation
[Br:1][CH2:2][CH2:3][CH:4]=[C:5]1[c:6]2[c:7]([cH:16][cH:17][c:18]([C:20]([CH3:21])([CH3:22])[OH:23])[cH:19]2)[O:8][CH2:9][c:10]2[c:11]1[cH:12][cH:13][cH:14][n:15]2.[C:24](=[O:25])([O-:26])[O-:27].[CH3:47][C:48]#[N:49].[CH3:50][CH2:51][O:52][C:53](=[O:54])[CH3:55].[Cl:30][c:31]1[cH:32][cH:33][c:34]([NH:37][C:38]2([C:44]#[N:45])[CH2:39][CH2:40][NH:41][CH2:42][CH2:43]2)[cH:35][cH:36]1.[K+:28].[K+:29].[OH2:46]>>[CH2:2]([CH2:3][CH:4]=[C:5]1[c:6]2[c:7]([cH:16][cH:17][c:18]([C:20]([CH3:21])([CH3:22])[OH:23])[cH:19]2)[O:8][CH2:9][c:10]2[c:11]1[cH:12][cH:13][cH:14][n:15]2)[N:41]1[CH2:40][CH2:39][C:38]([NH:37][c:34]2[cH:33][cH:32][c:31]([Cl:30])[cH:36][cH:35]2)([C:44]#[N:45])[CH2:43][CH2:42]1

Participants

8

Reactant 7

HCID 813Potassium Cation2×HCID 962WaterHCID 6342AcetonitrileHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 23136852HCID 23136852, compoundHCID 666859992-[5-(3-Bromo-propylidene)-5,1 1-dihydro-10-oxa-1-aza-dibenzo[a,d]cyclohepten-7-yl]-propan-2-ol

Product 1

HCID 66758476HCID 66758476, compound

Sources & evidence

ORD record
ord-a85354554d1e413782a54be02ba53765
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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