p-Toluenesulfonic acid → HCID 178449321, compound

HRID 117433

Reaction equation

HRID 117433 reaction equation
[C:24](=[O:25])([OH:26])[c:27]1[cH:28][cH:29][c:30]([C:33](=[O:34])[NH:35][CH:36]([CH:37]([CH3:38])[CH3:39])[C:40](=[O:41])[N:42]2[CH:43]([C:44](=[O:45])[NH:46][CH:47]([C:48]([C:49]([F:50])([F:51])[F:52])=[O:53])[CH:54]([CH3:55])[CH3:56])[CH2:57][CH2:58][CH2:59]2)[cH:31][cH:32]1.[CH2:12]([c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1)[O:19][C:20]([CH2:21][NH2:22])=[O:23].[O:70]=[CH:71][N:72]([CH3:73])[CH3:74].[OH:60][n:61]1[c:62]2[c:63]([cH:64][cH:65][cH:66][cH:67]2)[n:68][n:69]1.[c:1]1([CH3:2])[cH:3][cH:4][c:5]([S:6]([OH:7])(=[O:8])=[O:9])[cH:10][cH:11]1>>[CH2:12]([c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1)[O:19][C:20]([CH2:21][NH:22][C:24](=[O:25])[c:27]1[cH:28][cH:29][c:30]([C:33](=[O:34])[NH:35][CH:36]([CH:37]([CH3:38])[CH3:39])[C:40](=[O:41])[N:42]2[CH:43]([C:44](=[O:45])[NH:46][CH:47]([C:48]([C:49]([F:50])([F:51])[F:52])=[O:53])[CH:54]([CH3:55])[CH3:56])[CH2:57][CH2:58][CH2:59]2)[cH:31][cH:32]1)=[O:23]

Participants

6

Reactant 5

HCID 6101p-Toluenesulfonic acidHCID 6228DimethylformamideHCID 757711-HydroxybenzotriazoleHCID 409140Benzyl glycinateHCID 85192201HCID 85192201, compound

Product 1

HCID 178449321HCID 178449321, compound

Sources & evidence

ORD record
ord-a6d59ae33da64ea39fa75a699f85eb37
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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