Water → HCID 178477002, compound

HRID 1221929Notes

Reaction equation

HRID 1221929 reaction equation
[C:20]([CH3:21])(=[O:22])[S:23][CH:24]1[CH2:25][CH:26]([CH:42]=[O:43])[N:27]([C:29](=[O:30])[O:31][CH2:32][c:33]2[cH:34][cH:35][c:36]([N+:39](=[O:40])[O-:41])[cH:37][cH:38]2)[CH2:28]1.[CH3:56][c:57]1[cH:58][cH:59][cH:60][cH:61][cH:62]1.[CH3:63][CH2:64][O:65][C:66](=[O:67])[CH3:68].[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]([CH2:8][O:9][C:10](=[O:11])[NH:12][CH:13]([CH2:14][OH:15])[CH2:16][OH:17])[cH:18][cH:19]1.[OH2:55].[c:44]1([CH3:45])[cH:46][cH:47][c:48]([S:49]([OH:50])(=[O:51])=[O:52])[cH:53][cH:54]1>>[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]([CH2:8][O:9][C:10](=[O:11])[NH:12][CH:13]2[CH2:14][O:15][CH:42]([CH:26]3[CH2:25][CH:24]([S:23][C:20]([CH3:21])=[O:22])[CH2:28][N:27]3[C:29](=[O:30])[O:31][CH2:32][c:33]3[cH:34][cH:35][c:36]([N+:39](=[O:40])[O-:41])[cH:37][cH:38]3)[O:17][CH2:16]2)[cH:18][cH:19]1

Participants

7

Reactant 6

HCID 962WaterHCID 1140TolueneHCID 6101p-Toluenesulfonic acidHCID 8857Ethyl AcetateHCID 199345222-(4-Nitrobenzyloxycarbonyl)amino-1,3-propanediolHCID 178477033(4-nitrophenyl)methyl 4-acetylsulfanyl-2-formylpyrrolidine-1-carboxylate

Product 1

HCID 178477002HCID 178477002, compound

Sources & evidence

ORD record
ord-a7b37d14a7c54a69837d21c15c985ebb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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