Bicarbonate Ion → 3-chloro-2-methoxy-5-methyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepine

HRID 170266Notes

Reaction equation

HRID 170266 reaction equation
[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]2[c:19]([n:20]1)[CH2:18][CH2:17][N:10]([C:11](=[O:12])[C:13]([F:14])([F:15])[F:16])[CH2:9][CH:7]2[CH3:8].[CH3:58][OH:59].[Cl:31][c:32]1[cH:33][c:34]2[c:35]([n:48][c:49]1[O:50][CH3:51])[CH2:36][CH2:37][N:38]([C:42](=[O:43])[C:44]([F:45])([F:46])[F:47])[CH2:39][CH:40]2[CH3:41].[Cl:60][CH2:61][Cl:62].[K+:52].[K+:53].[Na+:30].[O-:26][C:27]([OH:28])=[O:29].[O-:54][C:55]([O-:56])=[O:57].[P:21]([Cl:22])([Cl:23])([Cl:24])=[O:25]>>[Cl:31][c:32]1[cH:33][c:34]2[c:35]([n:48][c:49]1[O:50][CH3:51])[CH2:36][CH2:37][NH:38][CH2:39][CH:40]2[CH3:41]

Participants

10

Reactant 9

HCID 769Bicarbonate IonHCID 813Potassium Cation2×HCID 887MethanolHCID 923Sodium ionHCID 6344DichloromethaneHCID 19660Carbonate IonHCID 24813Phosphorus oxychlorideHCID 236541072-methoxy-5-methyl-7-(trifluoroacetyl)-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepineHCID 236541103-chloro-2-methoxy-5-methyl-7-(trifluoroacetyl)-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepine

Product 1

HCID 236538053-chloro-2-methoxy-5-methyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepine

Sources & evidence

ORD record
ord-1326e3db8a544a84bae6d3d985d1fe10
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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