Acetic Acid → HCID 178504344, compound

HRID 1137954Notes

Reaction equation

HRID 1137954 reaction equation
[CH3:50][OH:51].[CH3:52][CH2:53][OH:54].[CH3:55][C:56](=[O:57])[OH:58].[H:36][H:37].[N:1](=[N+:2]=[N-:3])[CH2:4][CH:5]1[CH:6]([O:31][C:32]([CH3:33])([CH3:34])[CH3:35])[CH2:7][C:8]([n:10]2[cH:11][n:12][c:13]3[c:14]([NH:15][C:16]([c:17]4[cH:18][cH:19][cH:20][cH:21][cH:22]4)=[O:23])[n:24][cH:25][n:26][c:27]23)([SiH:28]([CH3:29])[CH3:30])[O:9]1.[OH2:38].[c:39]1([CH3:40])[cH:41][cH:42][c:43]([S:44]([OH:45])(=[O:46])=[O:47])[cH:48][cH:49]1>>[NH2:1][CH2:4][CH:5]1[CH:6]([O:31][C:32]([CH3:33])([CH3:34])[CH3:35])[CH2:7][C:8]([n:10]2[cH:11][n:12][c:13]3[c:14]([NH:15][C:16]([c:17]4[cH:18][cH:19][cH:20][cH:21][cH:22]4)=[O:23])[n:24][cH:25][n:26][c:27]23)([SiH:28]([CH3:29])[CH3:30])[O:9]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 702EthanolHCID 887MethanolHCID 962WaterHCID 6101p-Toluenesulfonic acidHCID 178418361HCID 178418361, compoundHCID 178504343HCID 178504343, compound

Product 1

HCID 178504344HCID 178504344, compound

Sources & evidence

ORD record
ord-80e91869853e47e180c81094ac505504
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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