Bicarbonate Ion → 1-[2-(4-Cyclobutyl-1,4-diazepane-1-carbonyl)-4-(4-fluorophenoxy)pyrrolidin-1-yl]ethanone

HRID 936199Notes

Reaction equation

HRID 936199 reaction equation
[CH2:38]1[O:39][CH2:40][CH2:41][CH2:42]1.[CH3:27][CH2:28][N:29]([CH2:30][CH3:31])[CH2:32][CH3:33].[CH3:34][C:35]([Cl:36])=[O:37].[CH:1]1([N:5]2[CH2:6][CH2:7][N:8]([C:12](=[O:13])[CH:14]3[NH:15][CH2:16][CH:17]([O:19][c:20]4[cH:21][cH:22][c:23]([F:26])[cH:24][cH:25]4)[CH2:18]3)[CH2:9][CH2:10][CH2:11]2)[CH2:2][CH2:3][CH2:4]1.[Na+:47].[O-:43][C:44]([OH:45])=[O:46]>>[CH:1]1([N:5]2[CH2:6][CH2:7][N:8]([C:12](=[O:13])[CH:14]3[N:15]([C:35]([CH3:34])=[O:37])[CH2:16][CH:17]([O:19][c:20]4[cH:21][cH:22][c:23]([F:26])[cH:24][cH:25]4)[CH2:18]3)[CH2:9][CH2:10][CH2:11]2)[CH2:2][CH2:3][CH2:4]1

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6367Acetyl chlorideHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 56676397(4-Cyclobutyl-1,4-diazepan-1-yl)-[4-(4-fluorophenoxy)pyrrolidin-2-yl]methanone

Product 1

HCID 690004631-[2-(4-Cyclobutyl-1,4-diazepane-1-carbonyl)-4-(4-fluorophenoxy)pyrrolidin-1-yl]ethanone

Sources & evidence

ORD record
ord-40999cadb4914910838bb3a56071587c
Source dataset
Validation data from https://doi.org/10.1039/C8SC04228D

Reaction notes

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