Acetone → HCID 86657024, compound

HRID 281597Notes

Reaction equation

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

Participants

Reactant 3

HCID 180Acetone

HCID 700Ethanolamine

HCID 668967562-Amino-6-({[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl}sulfanyl)-4-(2-iodo-1,3-thiazol-5-yl)pyridine-3,5-dicarbonitrile

Product 1

HCID 86657024HCID 86657024, compound

Sources & evidence

ORD record: ord-33e8c6b541164ddea25ed0dcd4605d40
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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