Chloride → HCID 69176028, compound
Reaction equation
[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH3:7].[Cl-:46].[Cl-:47].[Cl:33][C:34](=[O:35])[O:36][c:37]1[cH:38][cH:39][c:40]([N+:41]([O-:42])=[O:43])[cH:44][cH:45]1.[ClH:8].[F:9][c:10]1[c:11]([CH:17]2[CH2:18][CH2:19][CH:20]([NH2:32])[c:21]3[n:22]([c:24]([CH2:27][C:28]([F:29])([F:30])[F:31])[cH:25][n:26]3)[CH2:23]2)[cH:12][cH:13][cH:14][c:15]1[F:16].[Na+:64].[Na+:65].[O-:66][C:67](=[O:68])[O-:69].[O:48]=[c:49]1[nH:50][c:51]2[nH+:52][cH:53][n:54][cH:55][c:56]2[n:57]1[CH:58]1[CH2:59][CH2:60][NH2+:61][CH2:62][CH2:63]1.[O:70]1[CH2:71][CH2:72][CH2:73][CH2:74]1>>[F:9][c:10]1[c:11]([CH:17]2[CH2:18][CH2:19][CH:20]([NH:32][C:34](=[O:35])[N:61]3[CH2:60][CH2:59][CH:58]([n:57]4[c:49](=[O:48])[nH:50][c:51]5[n:52][cH:53][n:54][cH:55][c:56]54)[CH2:63][CH2:62]3)[c:21]3[n:22]([c:24]([CH2:27][C:28]([F:29])([F:30])[F:31])[cH:25][n:26]3)[CH2:23]2)[cH:12][cH:13][cH:14][c:15]1[F:16]Participants
10
Sources & evidence
- ORD record
- ord-4ee1c599ec6243a7b2185ec365e87eb7
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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