Water → HCID 178510176, compound

HRID 184348Notes

Reaction equation

HRID 184348 reaction equation
[CH3:24][CH2:25][N:26]([CH2:27][CH3:28])[CH2:29][CH3:30].[CH3:45][C:46]#[N:47].[CH3:48][CH2:49][O:50][C:51](=[O:52])[CH3:53].[F:31][C:32]([F:33])([F:34])[C:35]([O:36][C:37](=[O:38])[C:39]([F:40])([F:41])[F:42])=[O:43].[OH2:44].[c:1]1([S:7](=[O:8])(=[O:9])[O:10][CH2:11][C:12](=[O:13])[N:14]2[CH:15]([C:21](=[O:22])[NH2:23])[CH2:16][C:17]([F:19])([F:20])[CH2:18]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([S:7](=[O:8])(=[O:9])[O:10][CH2:11][C:12](=[O:13])[N:14]2[CH:15]([C:21]#[N:23])[CH2:16][C:17]([F:19])([F:20])[CH2:18]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

7

Reactant 6

HCID 962WaterHCID 6342AcetonitrileHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 9845Trifluoroacetic anhydrideHCID 178513679HCID 178513679, compound

Product 1

HCID 178510176HCID 178510176, compound

Sources & evidence

ORD record
ord-e76f175963bf42c4b35e8dd761ae8418
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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