Water → HCID 9952377, compound

HRID 2133644Notes

Reaction equation

HRID 2133644 reaction equation
[C:1]([CH3:2])(=[O:3])[c:4]1[cH:5][cH:6][c:7]2[c:8]([cH:27]1)[CH:9]([NH:16][C:17]([c:18]1[cH:19][c:20]([F:25])[cH:21][c:22]([F:24])[cH:23]1)=[O:26])[CH:10]([OH:15])[C:11]([CH3:13])([CH3:14])[O:12]2.[CH3:57][C:58]#[N:59].[F:36][C:37]([F:38])([F:39])[C:40]([O:41][IH2:42]([c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1)[O:49][C:50](=[O:51])[C:52]([F:53])([F:54])[F:55])=[O:56].[OH2:28].[OH:29][C:30]([C:31]([F:32])([F:33])[F:34])=[O:35]>>[C:1]([CH2:2][OH:29])(=[O:3])[c:4]1[cH:5][cH:6][c:7]2[c:8]([cH:27]1)[CH:9]([NH:16][C:17]([c:18]1[cH:19][c:20]([F:25])[cH:21][c:22]([F:24])[cH:23]1)=[O:26])[CH:10]([OH:15])[C:11]([CH3:13])([CH3:14])[O:12]2

Participants

6

Reactant 5

HCID 962WaterHCID 6342AcetonitrileHCID 6422Trifluoroacetic acidHCID 22461601HCID 22461601, compoundHCID 178526050HCID 178526050, compound

Product 1

HCID 9952377HCID 9952377, compound

Sources & evidence

ORD record
ord-cbbe35f62a324c4391e20a6043ccc7bb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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