Water → HCID 178428354, compound

HRID 181684Notes

Reaction equation

HRID 181684 reaction equation
[CH2:31]([O:32][C:33](=[O:34])[CH3:35])[CH3:36].[CH3:28][C:29]#[N:30].[CH:20]1([C:23]2([F:27])[CH2:24][NH:25][CH2:26]2)[CH2:21][CH2:22]1.[Cl:1][c:2]1[c:3]([F:19])[c:4]([NH:12][c:13]2[cH:14][c:15]([CH3:18])[n:16][nH:17]2)[n:5][c:6]([S:8](=[O:9])(=[O:10])[CH3:11])[n:7]1.[OH2:37]>>[c:2]1([N:25]2[CH2:24][C:23]([CH:20]3[CH2:21][CH2:22]3)([F:27])[CH2:26]2)[c:3]([F:19])[c:4]([NH:12][c:13]2[cH:14][c:15]([CH3:18])[n:16][nH:17]2)[n:5][c:6]([S:8](=[O:9])(=[O:10])[CH3:11])[n:7]1

Participants

6

Reactant 5

HCID 962WaterHCID 6342AcetonitrileHCID 8857Ethyl AcetateHCID 576749343-Cyclopropyl-3-fluoroazetidineHCID 178428353HCID 178428353, compound

Product 1

HCID 178428354HCID 178428354, compound

Sources & evidence

ORD record
ord-2c93e65d5d7e4b37b3a48fda64c9af84
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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