tert-Butanol → HCID 178428222, compound

HRID 1558555Notes

Reaction equation

HRID 1558555 reaction equation
[C:33]([OH:34])([CH3:35])([CH3:36])[CH3:37].[CH3:38][CH2:39][O:40][C:41]([CH3:42])=[O:43].[Cl:15][c:16]1[cH:17][c:18]([NH:26][c:27]2[cH:28][c:29]([CH3:32])[n:30][nH:31]2)[n:19][c:20]([S:22]([CH3:23])(=[O:24])=[O:25])[n:21]1.[F:1][c:2]1[cH:3][c:4]([NH:9][C:10](=[O:11])[CH:12]2[CH2:13][CH2:14]2)[cH:5][cH:6][c:7]1[SH:8]>>[F:1][c:2]1[cH:3][c:4]([NH:9][C:10](=[O:11])[CH:12]2[CH2:13][CH2:14]2)[cH:5][cH:6][c:7]1[S:8][c:20]1[n:19][c:18]([NH:26][c:27]2[cH:28][c:29]([CH3:32])[n:30][nH:31]2)[cH:17][c:16]([Cl:15])[n:21]1

Participants

5

Reactant 4

HCID 6386tert-ButanolHCID 8857Ethyl AcetateHCID 66589717HCID 66589717, compoundHCID 178428229HCID 178428229, compound

Product 1

HCID 178428222HCID 178428222, compound

Sources & evidence

ORD record
ord-802f414944fd40d9b29c73840ae64fb8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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