Dimethyl Sulfoxide → HCID 178449463, compound

HRID 287568Notes

Reaction equation

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

Participants

Reactant 4

HCID 679Dimethyl Sulfoxide

HCID 3283Diethyl Ether

HCID 143452tert-Butyl piperazine-1-carboxylate

HCID 20643479HCID 20643479, compound

Product 1

HCID 178449463HCID 178449463, compound

Sources & evidence

ORD record: ord-b8f6b3f48c73429c869f18eaa83aed58
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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