Bicarbonate Ion → 1-(2-Methoxyphenyl)-1,4-diazepane

HRID 203150Notes

Reaction equation

HRID 203150 reaction equation
[C:1]([O:2][C:3](=[O:4])[N:8]1[CH2:9][CH2:10][N:11]([c:15]2[c:16]([O:21][CH3:22])[cH:17][cH:18][cH:19][cH:20]2)[CH2:12][CH2:13][CH2:14]1)([CH3:5])([CH3:6])[CH3:7].[Cl:35][CH2:36][Cl:37].[Na+:34].[O-:30][C:31]([OH:32])=[O:33].[OH:23][C:24]([C:25]([F:26])([F:27])[F:28])=[O:29]>>[NH:8]1[CH2:9][CH2:10][N:11]([c:15]2[c:16]([O:21][CH3:22])[cH:17][cH:18][cH:19][cH:20]2)[CH2:12][CH2:13][CH2:14]1

Participants

6

Reactant 5

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 66631820Tert-butyl 4-(2-methoxyphenyl)-1,4-diazepane-1-carboxylate

Product 1

HCID 149548221-(2-Methoxyphenyl)-1,4-diazepane

Sources & evidence

ORD record
ord-8b4c47a07209400db9b70b5db65c3bda
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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