Acetone → HCID 22269976, compound
Reaction equation
[C:42]([CH:43]=[CH2:44])(=[O:45])[OH:46].[CH2:47]([Cl:48])[Cl:49].[CH3:50][C:51](=[O:52])[CH3:53].[CH3:54][OH:55].[CH3:57][CH2:58][N:59]([CH2:60][CH3:61])[CH2:62][CH3:63].[Cl-:40].[Cl-:41].[Cl:1][Si:2]([CH3:3])([CH3:4])[CH3:5].[NH2:6][c:7]1[cH:8][c:9]2[c:10]([NH:31][c:32]3[cH:33][c:34]([Br:38])[cH:35][cH:36][cH:37]3)[n:11][cH:12][n:13][c:14]2[cH:15][c:16]1[O:17][CH2:18][CH2:19][CH2:20][N:21]1[CH2:22][CH2:23][N:24]([CH2:27][C:28](=[O:29])[OH:30])[CH2:25][CH2:26]1.[Na+:39].[OH2:56]>>[NH:6]([c:7]1[cH:8][c:9]2[c:10]([NH:31][c:32]3[cH:33][c:34]([Br:38])[cH:35][cH:36][cH:37]3)[n:11][cH:12][n:13][c:14]2[cH:15][c:16]1[O:17][CH2:18][CH2:19][CH2:20][N:21]1[CH2:22][CH2:23][N:24]([CH2:27][C:28](=[O:29])[OH:30])[CH2:25][CH2:26]1)[C:42]([CH:43]=[CH2:44])=[O:45]Participants
11
Sources & evidence
- ORD record
- ord-781751e381534a39a4ee581047794550
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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