Acetic Acid → HCID 178504537, compound

HRID 179616Notes

Reaction equation

HRID 179616 reaction equation
[C:1](=[O:2])([CH3:3])[S:4][CH:5]([CH2:6][NH:7][C:8](=[O:9])[O:10][CH2:11][c:12]1[cH:13][cH:14][c:15]([N+:18](=[O:19])[O-:20])[cH:16][cH:17]1)[CH2:21][NH:22][C:23](=[O:24])[O:25][CH2:26][c:27]1[cH:28][cH:29][c:30]([N+:33](=[O:34])[O-:35])[cH:31][cH:32]1.[C:42]([O:43][CH:46]1[CH:47]([CH:51]([CH2:52][O:53][SiH:54]([CH3:55])[CH3:56])[C:57]([CH3:58])([CH3:59])[CH3:60])[C:48](=[O:50])[NH:49]1)(=[O:44])[CH3:45].[CH3:36][O-:37].[CH3:61][OH:62].[CH3:69][C:70](=[O:71])[OH:72].[Na+:38].[O:63]1[CH2:64][CH2:65][CH2:66][CH2:67]1.[OH2:68].[S:39]=[C:40]=[S:41]>>[S:4]([CH:5]([CH2:6][NH:7][C:8](=[O:9])[O:10][CH2:11][c:12]1[cH:13][cH:14][c:15]([N+:18](=[O:19])[O-:20])[cH:16][cH:17]1)[CH2:21][NH:22][C:23](=[O:24])[O:25][CH2:26][c:27]1[cH:28][cH:29][c:30]([N+:33](=[O:34])[O-:35])[cH:31][cH:32]1)[C:40]([S:39][CH:46]1[CH:47]([CH:51]([CH2:52][O:53][SiH:54]([CH3:55])[CH3:56])[C:57]([CH3:58])([CH3:59])[CH3:60])[C:48](=[O:50])[NH:49]1)=[S:41]

Participants

10

Reactant 9

HCID 176Acetic AcidHCID 887MethanolHCID 923Sodium ionHCID 962WaterHCID 6348Carbon DisulfideHCID 8028TetrahydrofuranHCID 3826051MethoxideHCID 137302702-Acetylthio-1,3-bis(p-nitrobenzyloxycarbonylamino)propaneHCID 173232100[3-(1-Dimethylsilyloxy-3,3-dimethylbutan-2-yl)-4-oxoazetidin-2-yl] acetate

Product 1

HCID 178504537HCID 178504537, compound

Sources & evidence

ORD record
ord-7da7c5e5c8f74849aa76bc97a52b94e7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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