Phenyl Isothiocyanate → HCID 178472828, compound

HRID 1240465Notes

Reaction equation

HRID 1240465 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([C:10](=[O:11])[O:12][CH2:13][CH3:14])[CH:15]1[CH:16]([C:22](=[O:23])[O:24][CH2:25][CH3:26])[CH:17]1[CH2:18][N:19]=[N+:20]=[N-:21].[CH3:36][CH2:37][O:38][C:39]([CH3:40])=[O:41].[c:27]1([N:33]=[C:34]=[S:35])[cH:28][cH:29][cH:30][cH:31][cH:32]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([C:10](=[O:11])[O:12][CH2:13][CH3:14])[CH:15]1[CH:16]([C:22](=[O:23])[O:24][CH2:25][CH3:26])[CH:17]1[CH2:18][NH:19][C:34]([NH:33][c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1)=[S:35]

Participants

4

Reactant 3

HCID 7673Phenyl IsothiocyanateHCID 8857Ethyl AcetateHCID 23542212HCID 23542212, compound

Product 1

HCID 178472828HCID 178472828, compound

Sources & evidence

ORD record
ord-8fb364e61db74d9c98b4bae89de98f18
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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