Water → HCID 178474950, compound

HRID 161307Notes

Reaction equation

HRID 161307 reaction equation
[C:1]([CH3:2])(=[O:3])[NH:4][CH2:5][CH2:6][S:7](=[O:8])(=[O:9])[N:10]1[CH2:11][CH:12]([C:31](=[O:32])[NH:33][O:34][C:35]([CH3:36])([CH3:37])[CH3:38])[N:13]([S:16](=[O:17])(=[O:18])[c:19]2[s:20][c:21](-[c:24]3[cH:25][cH:26][c:27]([F:30])[cH:28][cH:29]3)[cH:22][cH:23]2)[CH2:14][CH2:15]1.[CH3:39][O:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1.[OH2:54].[OH:47][C:48]([C:49]([F:50])([F:51])[F:52])=[O:53]>>[C:1]([CH3:2])(=[O:3])[NH:4][CH2:5][CH2:6][S:7](=[O:8])(=[O:9])[N:10]1[CH2:11][CH:12]([C:31](=[O:32])[NH:33][OH:34])[N:13]([S:16](=[O:17])(=[O:18])[c:19]2[s:20][c:21](-[c:24]3[cH:25][cH:26][c:27]([F:30])[cH:28][cH:29]3)[cH:22][cH:23]2)[CH2:14][CH2:15]1

Participants

5

Reactant 4

HCID 962WaterHCID 6422Trifluoroacetic acidHCID 7519AnisoleHCID 178474951HCID 178474951, compound

Product 1

HCID 178474950HCID 178474950, compound

Sources & evidence

ORD record
ord-932a6b09897c4b4cbe8b5c7a3f1cfc29
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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