Toluene → Tert-butyl 4-acetylsulfanyl-2-[[(2-methylpropan-2-yl)oxycarbonyl-sulfamoylamino]methyl]pyrrolidine-1-carboxylate

HRID 172319Notes

Reaction equation

HRID 172319 reaction equation
[C:43]([CH3:44])([CH3:45])([CH3:46])[O:47][C:48](=[O:49])[NH:50][S:51](=[O:52])(=[O:53])[NH2:54].[C:6]([CH3:7])(=[O:8])[S:9][CH:10]1[CH2:11][CH:12]([CH2:22][OH:23])[N:13]([C:15](=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[CH3:21])[CH2:14]1.[CH2:55]([O:56][C:57]([N:58]=[N:59][C:60]([O:61][CH2:62][CH3:63])=[O:64])=[O:65])[CH3:66].[CH3:72][c:73]1[cH:74][cH:75][cH:76][cH:77][cH:78]1.[NH2:1][S:2](=[O:3])(=[O:4])[NH2:5].[O:67]1[CH2:68][CH2:69][CH2:70][CH2:71]1.[c:24]1([P:25]([c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[cH:38][cH:39][cH:40][cH:41][cH:42]1>>[C:6]([CH3:7])(=[O:8])[S:9][CH:10]1[CH2:11][CH:12]([CH2:22][N:50]([C:48]([O:47][C:43]([CH3:44])([CH3:45])[CH3:46])=[O:49])[S:51](=[O:52])(=[O:53])[NH2:54])[N:13]([C:15](=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[CH3:21])[CH2:14]1

Participants

8

Reactant 7

HCID 1140TolueneHCID 8028TetrahydrofuranHCID 11776TriphenylphosphineHCID 82267SulfamideHCID 220568ethyl N-ethoxycarbonyliminocarbamateHCID 107265421,1-Dimethylethyl N-(aminosulfonyl)carbamateHCID 21461285Tert-butyl 4-acetylsulfanyl-2-(hydroxymethyl)pyrrolidine-1-carboxylate

Product 1

HCID 21461277Tert-butyl 4-acetylsulfanyl-2-[[(2-methylpropan-2-yl)oxycarbonyl-sulfamoylamino]methyl]pyrrolidine-1-carboxylate

Sources & evidence

ORD record
ord-e1182c31ab264799baf8216fb2b2b3a9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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