Toluene → Tert-butyl 2-(4-cyclobutyl-1,4-diazepane-1-carbonyl)-4-phenoxypyrrolidine-1-carboxylate

HRID 1142451Notes

Reaction equation

HRID 1142451 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([C:14](=[O:15])[N:16]2[CH2:17][CH2:18][N:19]([CH:23]3[CH2:24][CH2:25][CH2:26]3)[CH2:20][CH2:21][CH2:22]2)[CH2:10][CH:11]([OH:13])[CH2:12]1.[C:52](=[O:53])([O-:54])[O-:55].[CH3:34][c:35]1[cH:36][n:37][c:38]2[c:39]([c:40]1[CH3:41])[cH:42][cH:43][c:44]1[c:45]2[n:46][cH:47][c:48]([CH3:49])[c:50]1[CH3:51].[CH3:58][c:59]1[cH:60][cH:61][cH:62][cH:63][cH:64]1.[Cs+:56].[Cs+:57].[Cu:65][I:66].[I:27][c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([C:14](=[O:15])[N:16]2[CH2:17][CH2:18][N:19]([CH:23]3[CH2:24][CH2:25][CH2:26]3)[CH2:20][CH2:21][CH2:22]2)[CH2:10][CH:11]([O:13][c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[CH2:12]1

Participants

8

Reactant 7

HCID 1140TolueneHCID 11575IodobenzeneHCID 19660Carbonate IonHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 742653,4,7,8-Tetramethyl-1,10-phenanthrolineHCID 104967Cesium cation2×HCID 75077680Tert-butyl 2-(4-cyclobutyl-1,4-diazepane-1-carbonyl)-4-hydroxypyrrolidine-1-carboxylate

Product 1

HCID 75077755Tert-butyl 2-(4-cyclobutyl-1,4-diazepane-1-carbonyl)-4-phenoxypyrrolidine-1-carboxylate

Sources & evidence

ORD record
ord-a20cc298035244ec8144679eebabd388
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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