Potassium Cation → HCID 66758060, compound

HRID 686583Notes

Reaction equation

HRID 686583 reaction equation
[Br:26][CH2:27][CH2:28][CH:29]=[C:30]1[c:31]2[c:32]([cH:41][cH:42][c:43]([C:45]([CH3:46])([CH3:47])[OH:48])[cH:44]2)[O:33][CH2:34][c:35]2[c:36]1[cH:37][cH:38][cH:39][n:40]2.[C:50](#[N:51])[CH3:52].[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8]2([OH:19])[C:9]([CH3:14])([CH2:15][O:16][CH2:17][CH3:18])[CH2:10][NH:11][CH2:12][CH2:13]2)[cH:6][cH:7]1.[K+:20].[K+:21].[O-:22][C:23]([O-:24])=[O:25].[OH2:49]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8]2([OH:19])[C:9]([CH3:14])([CH2:15][O:16][CH2:17][CH3:18])[CH2:10][N:11]([CH2:27][CH2:28][CH:29]=[C:30]3[c:31]4[c:32]([cH:41][cH:42][c:43]([C:45]([CH3:46])([CH3:47])[OH:48])[cH:44]4)[O:33][CH2:34][c:35]4[c:36]3[cH:37][cH:38][cH:39][n:40]4)[CH2:12][CH2:13]2)[cH:6][cH:7]1

Participants

7

Reactant 6

HCID 813Potassium Cation2×HCID 962WaterHCID 6342AcetonitrileHCID 19660Carbonate IonHCID 18437107HCID 18437107, 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 66758060HCID 66758060, compound

Sources & evidence

ORD record
ord-c6010977bf044870a6fd3cc0edef8c2c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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