Tert-Butylbenzene → HCID 86760807, compound

HRID 185342

Reaction equation

HRID 185342 reaction equation
[C:43]([CH3:44])([CH3:45])([CH3:46])[c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1.[CH3:53][N:54]([c:55]1[cH:56][cH:57][n:58][cH:59][cH:60]1)[CH3:61].[CH:1]12[CH2:2][NH:3][CH2:4][CH:5]1[CH:6]2[CH2:7][N:8]([C:9](=[O:10])[c:11]1[s:12][cH:13][cH:14][cH:15]1)[c:16]1[cH:17][c:18]([F:28])[c:19]([N:22]2[CH2:23][CH2:24][O:25][CH2:26][CH2:27]2)[cH:20][cH:21]1.[CH:29]([N:30]([CH2:31][CH3:32])[CH:33]([CH3:34])[CH3:35])([CH3:36])[CH3:37].[S:38](=[O:39])(=[O:40])([Cl:41])[Cl:42]>>[CH:1]12[CH2:2][N:3]([S:38](=[O:39])(=[O:40])[c:50]3[cH:49][cH:48][c:47]([C:43]([CH3:44])([CH3:45])[CH3:46])[cH:52][cH:51]3)[CH2:4][CH:5]1[CH:6]2[CH2:7][N:8]([C:9](=[O:10])[c:11]1[s:12][cH:13][cH:14][cH:15]1)[c:16]1[cH:17][c:18]([F:28])[c:19]([N:22]2[CH2:23][CH2:24][O:25][CH2:26][CH2:27]2)[cH:20][cH:21]1

Participants

6

Reactant 5

HCID 7366Tert-ButylbenzeneHCID 142844-(Dimethylamino)pyridineHCID 24648Sulfuryl chlorideHCID 81531DiisopropylethylamineHCID 72401275HCID 72401275, compound

Product 1

HCID 86760807HCID 86760807, compound

Sources & evidence

ORD record
ord-d5cd9c7a5a0f444599e1373e389bca71
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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