Potassium Cation → HCID 66758692, compound

HRID 690847Notes

Reaction equation

HRID 690847 reaction equation
[Br:28][CH2:29][CH2:30][CH:31]=[C:32]1[c:33]2[c:34]([cH:43][cH:44][c:45]([C:47]([CH3:48])([CH3:49])[OH:50])[cH:46]2)[O:35][CH2:36][c:37]2[c:38]1[cH:39][cH:40][cH:41][n:42]2.[CH:51]([OH:52])([CH3:53])[CH3:54].[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][C:9](=[O:10])[NH:11][CH:12]2[CH2:13][CH2:14][NH:15][CH2:16][CH2:17]2)[cH:6][cH:7]1.[I-:27].[K+:26].[n:18]1[c:19]([CH3:20])[cH:21][cH:22][cH:23][c:24]1[CH3:25]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][C:9](=[O:10])[NH:11][CH:12]2[CH2:13][CH2:14][N:15]([CH2:29][CH2:30][CH:31]=[C:32]3[c:33]4[c:34]([cH:43][cH:44][c:45]([C:47]([CH3:48])([CH3:49])[OH:50])[cH:46]4)[O:35][CH2:36][c:37]4[c:38]3[cH:39][cH:40][cH:41][n:42]4)[CH2:16][CH2:17]2)[cH:6][cH:7]1

Participants

7

Reactant 6

HCID 813Potassium CationHCID 3776IsopropanolHCID 79372,6-LutidineHCID 30165Iodide IonHCID 22556557HCID 22556557, 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 66758692HCID 66758692, compound

Sources & evidence

ORD record
ord-24db8c9ded224751a1fa02ba1e1179e2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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