Potassium Cation → 2-(allyloxy)-3-iodo-5-methyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepine

HRID 1214332Notes

Reaction equation

HRID 1214332 reaction equation
[CH2:21]([Br:22])[CH:23]=[CH2:24].[CH2:25]([CH:26]=[CH2:27])[O:28][c:29]1[c:30]([I:47])[cH:31][c:32]2[c:33]([n:46]1)[CH2:34][CH2:35][N:36]([C:40](=[O:41])[C:42]([F:43])([F:44])[F:45])[CH2:37][CH:38]2[CH3:39].[CH3:54][CH2:55][O:56][C:57]([CH3:58])=[O:59].[CH3:60][OH:61].[Cl:62][CH:63]([Cl:64])[Cl:65].[I:1][c:2]1[c:3]([OH:4])[n:5][c:6]2[c:19]([cH:20]1)[CH:17]([CH3:18])[CH2:16][N:9]([C:10](=[O:11])[C:12]([F:13])([F:14])[F:15])[CH2:8][CH2:7]2.[K+:48].[K+:49].[O-:50][C:51]([O-:52])=[O:53]>>[CH2:25]([CH:26]=[CH2:27])[O:28][c:29]1[c:30]([I:47])[cH:31][c:32]2[c:33]([n:46]1)[CH2:34][CH2:35][NH:36][CH2:37][CH:38]2[CH3:39]

Participants

9

Reactant 8

HCID 813Potassium Cation2×HCID 887MethanolHCID 6212ChloroformHCID 7841Allyl bromideHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 236541992-(allyloxy)-3-iodo-5-methyl-7-(trifluoroacetyl)-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepineHCID 1784307093-iodo-5-methyl-7-(trifluoroacetyl)-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepin-2-ol

Product 1

HCID 236538112-(allyloxy)-3-iodo-5-methyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepine

Sources & evidence

ORD record
ord-aa6a9c0df3f44b8586846650738de848
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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