Hydrogen Bromide → Ethyl 1-[2-[methyl(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)amino]ethyl]piperidine-3-carboxylate

HRID 281284

Reaction equation

HRID 281284 reaction equation
[BrH:1].[C:34](=[O:35])([O-:36])[O-:37].[CH2:2]([CH3:3])[O:4][C:5](=[O:6])[CH:7]1[CH2:8][N:9]([CH2:13][CH2:14][Br:15])[CH2:10][CH2:11][CH2:12]1.[CH2:40]([C:41]([CH3:42])=[O:43])[CH3:44].[ClH:16].[K+:38].[K+:39].[cH:17]1[cH:18][cH:19][cH:20][c:21]2[c:27]1[CH2:26][CH2:25][c:24]1[c:23]([cH:31][cH:30][cH:29][cH:28]1)[CH:22]2[NH:32][CH3:33]>>[CH2:2]([CH3:3])[O:4][C:5](=[O:6])[CH:7]1[CH2:8][N:9]([CH2:13][CH2:14][N:32]([CH:22]2[c:21]3[cH:20][cH:19][cH:18][cH:17][c:27]3[CH2:26][CH2:25][c:24]3[c:23]2[cH:31][cH:30][cH:29][cH:28]3)[CH3:33])[CH2:10][CH2:11][CH2:12]1

Participants

8

Reactant 7

HCID 260Hydrogen BromideHCID 313Hydrochloric AcidHCID 813Potassium Cation2×HCID 6569Methyl Ethyl KetoneHCID 19660Carbonate IonHCID 10244523Ethyl 1-(2-bromoethyl)-3-piperidinecarboxylateHCID 18787216N-methyl-10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-amine

Product 1

HCID 50852342Ethyl 1-[2-[methyl(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)amino]ethyl]piperidine-3-carboxylate

Sources & evidence

ORD record
ord-6f3e0ea5da5341a5af74a234c76426cb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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