Calcium Cation → Tert-butyl 3-[4-(4-chlorophenyl)-1,4-diazepan-1-yl]-4-hydroxypyrrolidine-1-carboxylate

HRID 1238938Notes

Reaction equation

HRID 1238938 reaction equation
[C:15]([CH3:16])([CH3:17])([CH3:18])[O:19][C:20](=[O:21])[N:22]1[CH2:23][CH:24]2[O:25][CH:26]2[CH2:27]1.[CH3:45][C:46]#[N:47].[Ca+2:36].[Cl:1][c:2]1[cH:3][cH:4][c:5]([N:8]2[CH2:9][CH2:10][NH:11][CH2:12][CH2:13][CH2:14]2)[cH:6][cH:7]1.[F:28][C:29]([F:30])([F:31])[S:32]([O-:33])(=[O:34])=[O:35].[F:37][C:38]([F:39])([F:40])[S:41]([O-:42])(=[O:43])=[O:44]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([N:8]2[CH2:9][CH2:10][N:11]([CH:26]3[CH:24]([OH:25])[CH2:23][N:22]([C:20]([O:19][C:15]([CH3:16])([CH3:17])[CH3:18])=[O:21])[CH2:27]3)[CH2:12][CH2:13][CH2:14]2)[cH:6][cH:7]1

Participants

6

Reactant 5

HCID 271Calcium CationHCID 6342AcetonitrileHCID 2758875Trifluoromethanesulfonate2×HCID 10103880tert-Butyl 6-Oxa-3-azabicyclo(3.1.0)hexane-3-carboxylateHCID 213638201-(4-Chlorophenyl)-1,4-diazepane

Product 1

HCID 66967969Tert-butyl 3-[4-(4-chlorophenyl)-1,4-diazepan-1-yl]-4-hydroxypyrrolidine-1-carboxylate

Sources & evidence

ORD record
ord-b5fb9da77329430dbba27bce8471c1e9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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