Benzene → 4-(1-(3-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)-1-propyl)piperidin4-yl)butyric acid ethyl ester

HRID 1549866Notes

Reaction equation

HRID 1549866 reaction equation
[Br:1][CH2:2][CH2:3][CH:4]=[C:5]1[c:6]2[c:7]([cH:16][cH:17][cH:18][cH:19]2)[CH2:8][CH2:9][c:10]2[c:11]1[cH:12][cH:13][cH:14][cH:15]2.[C:34](=[O:35])([O-:36])[O-:37].[CH3:40][N:41]([CH3:42])[CH:43]=[O:44].[K+:38].[K+:39].[NH:20]1[CH2:21][CH2:22][CH:23]([CH2:26][CH2:27][CH2:28][C:29](=[O:30])[O:31][CH2:32][CH3:33])[CH2:24][CH2:25]1.[OH2:45].[cH:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1>>[CH2:2]([CH2:3][CH:4]=[C:5]1[c:6]2[c:7]([cH:16][cH:17][cH:18][cH:19]2)[CH2:8][CH2:9][c:10]2[c:11]1[cH:12][cH:13][cH:14][cH:15]2)[N:20]1[CH2:21][CH2:22][CH:23]([CH2:26][CH2:27][CH2:28][C:29](=[O:30])[O:31][CH2:32][CH3:33])[CH2:24][CH2:25]1

Participants

8

Reactant 7

HCID 241BenzeneHCID 813Potassium Cation2×HCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 17126855-(3-bromopropylidene)-10,11-dihydro-5H-dibenzo[a,d]cyclohepteneHCID 106318484-Piperidinebutanoic acid, ethyl ester

Product 1

HCID 540820164-(1-(3-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)-1-propyl)piperidin4-yl)butyric acid ethyl ester

Sources & evidence

ORD record
ord-9530074390214adcb90417eb8b6d5d6a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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