Carbon Dioxide → Cyclopropylmethyl 1-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-3,4-dihydro-1,5-benzodiazepine-5-carboxylate

HRID 697603Notes

Reaction equation

HRID 697603 reaction equation
[Br:25][CH2:26][CH:27]1[CH2:28][CH2:29]1.[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH:8]1[CH2:9][NH:10][c:11]2[c:12]([cH:17][cH:18][cH:19][cH:20]2)[N:13]([CH3:16])[C:14]1=[O:15])=[O:21].[C:30](=[O:31])([O-:32])[O-:33].[CH3:36][N:37]([CH3:38])[CH:39]=[O:40].[Cs+:34].[Cs+:35].[O:22]=[C:23]=[O:24]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH:8]1[CH2:9][N:10]([C:23]([O:22][CH2:26][CH:27]2[CH2:28][CH2:29]2)=[O:24])[c:11]2[c:12]([cH:17][cH:18][cH:19][cH:20]2)[N:13]([CH3:16])[C:14]1=[O:15])=[O:21]

Participants

7

Reactant 6

HCID 280Carbon DioxideHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 81503BromomethylcyclopropaneHCID 104967Cesium cation2×HCID 69038045HCID 69038045, compound

Product 1

HCID 69042566Cyclopropylmethyl 1-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-3,4-dihydro-1,5-benzodiazepine-5-carboxylate

Sources & evidence

ORD record
ord-1d1306c5ac1849e5a36467e0d358fedb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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