Acetone → HCID 20381295, compound
Reaction equation
[CH2:86]([Cl:87])[Cl:88].[CH3:63][C:64](=[O:65])[CH3:66].[CH3:79][CH2:80][N:81]([CH2:82][CH3:83])[CH2:84][CH3:85].[OH2:51].[OH2:78].[c:1]1([C:2]([c:3]2[cH:4][cH:5][cH:6][cH:7][cH:8]2)([c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[NH:20][CH:21]2[CH:22]3[N:23]([CH:24]([c:29]4[n:30][n:31][n:32][n:33]4[CH2:34][c:35]4[cH:36][cH:37][c:38]([O:41][CH2:42][c:43]5[cH:44][cH:45][cH:46][cH:47][cH:48]5)[cH:39][cH:40]4)[C:25]([CH3:27])([CH3:28])[S:26]3)[C:49]2=[O:50])[cH:15][cH:16][cH:17][cH:18][cH:19]1.[c:52]1([CH3:53])[cH:54][cH:55][c:56]([S:57]([OH:58])(=[O:59])=[O:60])[cH:61][cH:62]1.[c:67]1([CH3:68])[cH:69][cH:70][c:71]([S:72]([O-:73])(=[O:74])=[O:75])[cH:76][cH:77]1>>[NH2:20][CH:21]1[CH:22]2[N:23]([CH:24]([c:29]3[n:30][n:31][n:32][n:33]3[CH2:34][c:35]3[cH:36][cH:37][c:38]([O:41][CH2:42][c:43]4[cH:44][cH:45][cH:46][cH:47][cH:48]4)[cH:39][cH:40]3)[C:25]([CH3:27])([CH3:28])[S:26]2)[C:49]1=[O:50]Participants
8
Sources & evidence
- ORD record
- ord-3a6daa7d0f854b1ca782f35445ff3106
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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