tert-Butanol → HCID 178428227, compound

HRID 2350671Notes

Reaction equation

HRID 2350671 reaction equation
[C:32]([OH:33])([CH3:34])([CH3:35])[CH3:36].[Cl:14][c:15]1[cH:16][c:17]([NH:25][c:26]2[cH:27][c:28]([CH3:31])[n:29][nH:30]2)[n:18][c:19]([S:21]([CH3:22])(=[O:23])=[O:24])[n:20]1.[F:1][c:2]1[cH:3][c:4]([SH:13])[cH:5][c:6]2[cH:7][cH:8][c:9]([CH3:12])[n:10][c:11]12>>[F:1][c:2]1[cH:3][c:4]([S:13][c:19]2[n:18][c:17]([NH:25][c:26]3[cH:27][c:28]([CH3:31])[n:29][nH:30]3)[cH:16][c:15]([Cl:14])[n:20]2)[cH:5][c:6]2[cH:7][cH:8][c:9]([CH3:12])[n:10][c:11]12

Participants

4

Reactant 3

HCID 6386tert-ButanolHCID 67283272HCID 67283272, compoundHCID 178428229HCID 178428229, compound

Product 1

HCID 178428227HCID 178428227, compound

Sources & evidence

ORD record
ord-55de6b7bd4a74cdaa6797ca3c2996546
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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