Chloride → HCID 22054268, compound
Reaction equation
[CH2:54]([Cl:55])[Cl:56].[CH3:10][CH2:11][N:12]([CH2:13][CH3:14])[CH2:15][CH3:16].[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([NH2:7])[cH:8][cH:9]1.[CH3:26][O:27][C:28]1=[C:33]([O:34][CH3:35])[C:32](=[O:36])[C:31]([CH2:37][c:38]2[cH:39][cH:40][c:41]([O:47][C:48]([CH3:49])=[O:50])[c:42]([C:43](=[O:44])[OH:45])[cH:46]2)=[C:30]([CH3:51])[C:29]1=[O:52].[Cl-:17].[Cl:18][CH:19]1[N:20]([CH3:21])[CH2:22][CH2:23][NH+:24]1[CH3:25].[OH2:53]>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([NH:7][C:43]([c:42]2[c:41]([O:47][C:48]([CH3:49])=[O:50])[cH:40][cH:39][c:38]([CH2:37][C:31]3=[C:30]([CH3:51])[C:29](=[O:52])[C:28]([O:27][CH3:26])=[C:33]([O:34][CH3:35])[C:32]3=[O:36])[cH:46]2)=[O:44])[cH:8][cH:9]1Participants
8
Sources & evidence
- ORD record
- ord-d0b1c6bcff1a480c9514e714d3e7bd93
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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