Acetone → HCID 178510467, compound
Reaction equation
[CH3:38][C:39](=[O:40])[CH3:41].[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[n:11][c:12]([Br:15])[s:13][cH:14]2)[c:7]1[C:8]#[N:9].[NH2:32][CH2:33][CH:34]([CH2:35][OH:36])[OH:37]>>[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[n:11][c:12]([NH:32][CH2:33][CH:34]([CH2:35][OH:36])[OH:37])[s:13][cH:14]2)[c:7]1[C:8]#[N:9]Participants
4
Sources & evidence
- ORD record
- ord-c36ee281d1ba436aa0d30a070bad33d1
- Source dataset
- Test data from https://doi.org/10.1039/C8SC04228D