Potassium Cation → HCID 66758298, compound

HRID 1221836Notes

Reaction equation

HRID 1221836 reaction equation
[Br:24][CH2:25][CH2:26][CH:27]=[C:28]1[c:29]2[c:30]([cH:39][cH:40][c:41]([C:43]([CH3:44])([CH3:45])[OH:46])[cH:42]2)[O:31][CH2:32][c:33]2[c:34]1[cH:35][cH:36][cH:37][n:38]2.[C:18](=[O:19])([O-:20])[O-:21].[C:48](#[N:49])[CH3:50].[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8]2([O:16][CH3:17])[C:9]([OH:14])([CH3:15])[CH2:10][NH:11][CH2:12][CH2:13]2)[cH:6][cH:7]1.[K+:22].[K+:23].[OH2:47]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8]2([O:16][CH3:17])[C:9]([OH:14])([CH3:15])[CH2:10][N:11]([CH2:25][CH2:26][CH:27]=[C:28]3[c:29]4[c:30]([cH:39][cH:40][c:41]([C:43]([CH3:44])([CH3:45])[OH:46])[cH:42]4)[O:31][CH2:32][c:33]4[c:34]3[cH:35][cH:36][cH:37][n:38]4)[CH2:12][CH2:13]2)[cH:6][cH:7]1

Participants

7

Reactant 6

HCID 813Potassium Cation2×HCID 962WaterHCID 6342AcetonitrileHCID 19660Carbonate IonHCID 231368654-(4-Chlorophenyl)-4-methoxy-3-methyl-3-piperidinolHCID 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 66758298HCID 66758298, compound

Sources & evidence

ORD record
ord-2dd6d14e89924299b58497c4cd3f087f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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