Water → HCID 9929436, compound

HRID 2348780Notes

Reaction equation

HRID 2348780 reaction equation
[C:1]([CH3:2])(=[O:3])[c:4]1[cH:5][cH:6][c:7]2[c:8]([cH:26]1)[CH:9]([NH:16][C:17]([c:18]1[cH:19][cH:20][c:21]([F:24])[cH:22][cH:23]1)=[O:25])[CH:10]([OH:15])[C:11]([CH3:13])([CH3:14])[O:12]2.[CH3:56][C:57]#[N:58].[F:35][C:36]([F:37])([F:38])[C:39]([O:40][IH2:41]([c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1)[O:48][C:49](=[O:50])[C:51]([F:52])([F:53])[F:54])=[O:55].[OH2:27].[OH:28][C:29]([C:30]([F:31])([F:32])[F:33])=[O:34]>>[C:1]([CH2:2][OH:28])(=[O:3])[c:4]1[cH:5][cH:6][c:7]2[c:8]([cH:26]1)[CH:9]([NH:16][C:17]([c:18]1[cH:19][cH:20][c:21]([F:24])[cH:22][cH:23]1)=[O:25])[CH:10]([OH:15])[C:11]([CH3:13])([CH3:14])[O:12]2

Participants

6

Reactant 5

HCID 962WaterHCID 6342AcetonitrileHCID 6422Trifluoroacetic acidHCID 18385573HCID 18385573, compoundHCID 178526050HCID 178526050, compound

Product 1

HCID 9929436HCID 9929436, compound

Sources & evidence

ORD record
ord-c8a044efe9ac4211b81c67ec654a83dc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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