Water → HCID 59593426, compound

HRID 202043Notes

Reaction equation

HRID 202043 reaction equation
[CH2:39]1[O:40][CH2:41][CH2:42][CH2:43]1.[CH3:1][C:2]1([CH3:25])[O:3][C:4](=[O:26])[CH:5]([CH2:7][CH2:8][NH:9][c:10]2[cH:11][cH:12][c:13]([S:16](=[O:17])(=[O:18])[NH:19][c:20]3[s:21][cH:22][cH:23][n:24]3)[cH:14][cH:15]2)[O:6]1.[OH2:27].[c:28]1([CH3:29])[cH:30][cH:31][c:32]([S:33]([OH:34])(=[O:35])=[O:36])[cH:37][cH:38]1>>[O:3]=[C:4]1[CH:5]([OH:6])[CH2:7][CH2:8][N:9]1[c:10]1[cH:11][cH:12][c:13]([S:16](=[O:17])(=[O:18])[NH:19][c:20]2[s:21][cH:22][cH:23][n:24]2)[cH:14][cH:15]1

Participants

5

Reactant 4

HCID 962WaterHCID 6101p-Toluenesulfonic acidHCID 8028TetrahydrofuranHCID 59593453HCID 59593453, compound

Product 1

HCID 59593426HCID 59593426, compound

Sources & evidence

ORD record
ord-b977cd1803f949409a79fabe7ce1b01d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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