Hydrochloric Acid → 2-(5-{3-[4-(2-Chloro-phenoxy)-piperidin-1-yl]-propylidene}-5,11-dihydro-10-oxa-1-aza-dibenzo[a,d]cyclohepten-7-yl)-propan-2-ol

HRID 2160386Notes

Reaction equation

HRID 2160386 reaction equation
[Br:16][CH2:17][CH2:18][CH:19]=[C:20]1[c:21]2[c:22]([cH:31][cH:32][c:33]([C:35]([CH3:36])([CH3:37])[OH:38])[cH:34]2)[O:23][CH2:24][c:25]2[c:26]1[cH:27][cH:28][cH:29][n:30]2.[C:39](=[O:40])([O-:41])[O-:42].[CH3:45][C:46]#[N:47].[Cl:2][c:3]1[c:4]([O:5][CH:6]2[CH2:7][CH2:8][NH:9][CH2:10][CH2:11]2)[cH:12][cH:13][cH:14][cH:15]1.[ClH:1].[K+:43].[K+:44].[OH2:48]>>[Cl:2][c:3]1[c:4]([O:5][CH:6]2[CH2:7][CH2:8][N:9]([CH2:17][CH2:18][CH:19]=[C:20]3[c:21]4[c:22]([cH:31][cH:32][c:33]([C:35]([CH3:36])([CH3:37])[OH:38])[cH:34]4)[O:23][CH2:24][c:25]4[c:26]3[cH:27][cH:28][cH:29][n:30]4)[CH2:10][CH2:11]2)[cH:12][cH:13][cH:14][cH:15]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 813Potassium Cation2×HCID 962WaterHCID 6342AcetonitrileHCID 19660Carbonate IonHCID 38646564-(2-Chlorophenoxy)piperidineHCID 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 667576402-(5-{3-[4-(2-Chloro-phenoxy)-piperidin-1-yl]-propylidene}-5,11-dihydro-10-oxa-1-aza-dibenzo[a,d]cyclohepten-7-yl)-propan-2-ol

Sources & evidence

ORD record
ord-1cf49bcdfe3c4b40936f29704705df75
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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