Water → HCID 59467943, compound

HRID 180233Notes

Reaction equation

HRID 180233 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][N:6]1[C:7](=[O:37])[CH:8]([CH2:14][N:15]([c:16]2[cH:17][cH:18][c:19]([O:22][c:23]3[cH:24][cH:25][c:26]([C:29]([F:30])([F:31])[F:32])[cH:27][cH:28]3)[cH:20][cH:21]2)[S:33](=[O:34])(=[O:35])[CH3:36])[N:9]([CH3:13])[CH2:10][CH2:11][CH2:12]1.[CH3:46][CH2:47][CH2:48][CH2:49][CH2:50][CH3:51].[CH3:52][CH2:53][O:54][CH2:55][CH3:56].[OH2:45].[OH:38][C:39]([C:40]([F:41])([F:42])[F:43])=[O:44]>>[OH:5][N:6]1[C:7](=[O:37])[CH:8]([CH2:14][N:15]([c:16]2[cH:17][cH:18][c:19]([O:22][c:23]3[cH:24][cH:25][c:26]([C:29]([F:30])([F:31])[F:32])[cH:27][cH:28]3)[cH:20][cH:21]2)[S:33](=[O:34])(=[O:35])[CH3:36])[N:9]([CH3:13])[CH2:10][CH2:11][CH2:12]1

Participants

6

Reactant 5

HCID 962WaterHCID 3283Diethyl EtherHCID 6422Trifluoroacetic acidHCID 8058HexaneHCID 178480491HCID 178480491, compound

Product 1

HCID 59467943HCID 59467943, compound

Sources & evidence

ORD record
ord-fb69f794f44343d5b04d685cf0faf2e5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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