Phenyl Isothiocyanate → 4-Cyclohexyl 2-phenylthiocarbamoyl cyclohexanone

HRID 1559188Notes

Reaction equation

HRID 1559188 reaction equation
[CH:1]1([CH:2]2[CH2:3][CH2:4][C:5]([CH:6]3[CH2:7][NH:8][CH2:9][CH2:10][O:14]3)=[CH:11][CH2:12]2)[CH2:13][CH2:15][CH2:16][CH2:17][CH2:18]1.[CH:28]1([CH:34]2[CH2:35][C:36]([C:46]([NH:47][c:48]3[cH:49][cH:50][cH:51][cH:52][cH:53]3)=[S:54])=[C:37]([CH:40]3[CH2:41][NH:42][CH2:43][CH2:44][O:45]3)[CH2:38][CH2:39]2)[CH2:29][CH2:30][CH2:31][CH2:32][CH2:33]1.[c:19]1([N:20]=[C:21]=[S:22])[cH:23][cH:24][cH:25][cH:26][cH:27]1>>[O:14]=[C:37]1[CH:36]([C:46]([NH:47][c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)=[S:54])[CH2:35][CH:34]([CH:28]2[CH2:29][CH2:30][CH2:31][CH2:32][CH2:33]2)[CH2:39][CH2:38]1

Participants

4

Reactant 3

HCID 7673Phenyl IsothiocyanateHCID 178419839HCID 178419839, compoundHCID 178528009HCID 178528009, compound

Product 1

HCID 215152964-Cyclohexyl 2-phenylthiocarbamoyl cyclohexanone

Sources & evidence

ORD record
ord-e16f360de8634fb999247660542fb6c4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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