Hydrochloric Acid → HCID 68506423, compound

HRID 2131718Notes

Reaction equation

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

Participants

Reactant 5

HCID 313Hydrochloric Acid

HCID 674Dimethylamine

HCID 6342Acetonitrile

HCID 8471Triethylamine

HCID 251733303-({[(5Z)-4-butyl-2-tert-butylisothiazol-5(2H)-ylidene]amino}carbonyl)-2,2,3-trimethylcyclopentanecarboxylic acid

Product 1

HCID 68506423HCID 68506423, compound

Sources & evidence

ORD record: ord-eb408261b16a4686b4a7419be7bc83e8
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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