Phenyl Isothiocyanate → HCID 19874984, compound

HRID 185819Notes

Reaction equation

HRID 185819 reaction equation
[CH3:10][CH:11]([CH3:12])[c:13]1[c:14]([NH:22][C:23]([CH2:24][NH:25][CH2:26][C:27]2([c:32]3[cH:33][cH:34][cH:35][cH:36][cH:37]3)[CH2:28][CH2:29][CH2:30][CH2:31]2)=[O:38])[c:15]([CH:19]([CH3:20])[CH3:21])[cH:16][cH:17][cH:18]1.[CH3:39][CH2:40][O:41][C:42](=[O:43])[CH3:44].[c:1]1([N:7]=[C:8]=[S:9])[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([NH:7][C:8](=[S:9])[N:25]([CH2:24][C:23]([NH:22][c:14]2[c:13]([CH:11]([CH3:10])[CH3:12])[cH:18][cH:17][cH:16][c:15]2[CH:19]([CH3:20])[CH3:21])=[O:38])[CH2:26][C:27]2([c:32]3[cH:33][cH:34][cH:35][cH:36][cH:37]3)[CH2:28][CH2:29][CH2:30][CH2:31]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

4

Reactant 3

HCID 7673Phenyl IsothiocyanateHCID 8857Ethyl AcetateHCID 19874901HCID 19874901, compound

Product 1

HCID 19874984HCID 19874984, compound

Sources & evidence

ORD record
ord-2d1c37375ae847c0a89ef09d7304795c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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