Acetate → Benzyl 6-(3-(phenylsulfonyl)quinolin-8-yl)-3,6-diazabicyclo[3.2.0]heptane-3-carboxylate

HRID 311458Notes

Reaction equation

HRID 311458 reaction equation
[C:24]([P:25]([C:26]([CH3:27])([CH3:28])[CH3:29])[C:30]([CH3:31])([CH3:32])[CH3:33])([CH3:34])([CH3:35])[CH3:36].[CH3:1][C:2]([CH3:3])([O-:4])[CH3:5].[CH3:57][c:58]1[cH:59][cH:60][cH:61][cH:62][cH:63]1.[CH:7]12[CH2:8][N:9]([C:14](=[O:15])[O:16][CH2:17][c:18]3[cH:19][cH:20][cH:21][cH:22][cH:23]3)[CH2:10][CH:11]1[NH:12][CH2:13]2.[I:37][c:38]1[cH:39][cH:40][cH:41][c:42]2[cH:43][c:44]([S:48](=[O:49])(=[O:50])[c:51]3[cH:52][cH:53][cH:54][cH:55][cH:56]3)[cH:45][n:46][c:47]12.[Na+:6].[O-:65][C:66]([CH3:67])=[O:68].[O-:69][C:70]([CH3:71])=[O:72].[Pd+2:64]>>[CH:7]12[CH2:8][N:9]([C:14](=[O:15])[O:16][CH2:17][c:18]3[cH:19][cH:20][cH:21][cH:22][cH:23]3)[CH2:10][CH:11]1[N:12]([c:38]1[cH:39][cH:40][cH:41][c:42]3[cH:43][c:44]([S:48](=[O:49])(=[O:50])[c:51]4[cH:52][cH:53][cH:54][cH:55][cH:56]4)[cH:45][n:46][c:47]13)[CH2:13]2

Participants

9

Reactant 8

HCID 175Acetate2×HCID 923Sodium ionHCID 1140TolueneHCID 83681Tris(1,1-dimethylethyl)phosphineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 45749132-Methylpropan-2-olateHCID 114067748-Iodo-3-(phenylsulfonyl)quinolineHCID 50990188Benzyl 3,6-diazabicyclo[3.2.0]heptane-3-carboxylate

Product 1

HCID 25196270Benzyl 6-(3-(phenylsulfonyl)quinolin-8-yl)-3,6-diazabicyclo[3.2.0]heptane-3-carboxylate

Sources & evidence

ORD record
ord-f7cb177c44d047868365406430f9bcc4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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