Chloride → HCID 178459898, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([O:9][CH2:10][C:11](=[O:12])[NH:13][c:14]2[nH:15][c:16](=[O:31])[c:17]3[n:18][cH:19][n:20]([CH:21]4[CH2:22][CH:23]([OH:24])[CH:25]([CH2:26][OH:27])[O:28]4)[c:29]3[n:30]2)[cH:32][cH:33]1.[Cl-:34].[Cl:56][CH2:57][Cl:58].[N+:35](=[O:36])([O-:37])[c:38]1[c:39]([CH:44]([CH2:45][O:46][C:47](=[O:48])[n:49]2[cH:50][cH:51][n+:52]([CH3:53])[cH:54]2)[CH3:55])[cH:40][cH:41][cH:42][cH:43]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([O:9][CH2:10][C:11](=[O:12])[NH:13][c:14]2[nH:15][c:16](=[O:31])[c:17]3[n:18][cH:19][n:20]([CH:21]4[CH2:22][CH:23]([O:24][C:47]([O:46][CH2:45][CH:44]([c:39]5[c:38]([N+:35](=[O:36])[O-:37])[cH:43][cH:42][cH:41][cH:40]5)[CH3:55])=[O:48])[CH:25]([CH2:26][OH:27])[O:28]4)[c:29]3[n:30]2)[cH:32][cH:33]1Participants
5
Sources & evidence
- ORD record
- ord-624ded5e9d48407ead227a750e95606b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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