Chloride → 4-[[3,4-Bis(2-methylpropyl)-1,3-thiazolidin-2-ylidene]amino]benzonitrile

HRID 169762

Reaction equation

HRID 169762 reaction equation
[C:36](#[N:37])[c:38]1[cH:39][cH:40][c:41]([N:44]=[C:45]=[S:46])[cH:42][cH:43]1.[CH3:23][CH:24]([CH2:25][CH:26]([CH2:27][OH:28])[NH:29][CH2:30][CH:31]([CH3:32])[CH3:33])[CH3:34].[CH3:9][O:10][C:11](=[O:12])[CH:13]([CH2:14][CH:15]([CH3:16])[CH3:17])[NH2:18].[Cl-:35].[OH:19][CH2:20][CH2:21][NH2:22].[OH:1][CH2:2][CH:3]([NH2:4])[CH2:5][CH:6]([CH3:7])[CH3:8]>>[CH3:23][CH:24]([CH2:25][CH:26]1[CH2:27][S:46][C:45](=[N:44][c:41]2[cH:40][cH:39][c:38]([C:36]#[N:37])[cH:43][cH:42]2)[N:29]1[CH2:30][CH:31]([CH3:32])[CH3:33])[CH3:34]

Participants

7

Reactant 6

HCID 312ChlorideHCID 700EthanolamineHCID 17626Benzonitrile, 4-isothiocyanato-HCID 790302-Amino-4-methylpentan-1-olHCID 410817Methyl DL-leucinate hydrochlorideHCID 183161704-Methyl-2-[(2-methylpropyl)amino]pentan-1-ol

Product 1

HCID 183162584-[[3,4-Bis(2-methylpropyl)-1,3-thiazolidin-2-ylidene]amino]benzonitrile

Sources & evidence

ORD record
ord-7a8fc31400a243da808ff6b0f92aeed9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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