Acetate → 8-[5-(4-Nitro-2-sulfobenzamido)-o-toluenesulfonamido]-1,3,6-naphthalenetrisulfonic acid
Reaction equation
[C:38]([O-:39])(=[O:40])[CH3:41].[N+:43]([c:44]1[cH:45][cH:46][c:47]([C:48](=[O:50])[O:52][C:53](=[O:49])[c:54]2[c:55]([S:63](=[O:64])(=[O:65])[OH:66])[cH:56][c:57]([N+:60](=[O:61])[O-:62])[cH:58][cH:59]2)[c:51]([S:67]([OH:68])(=[O:69])=[O:70])[cH:71]1)([O-:72])=[O:73].[NH2:1][c:2]1[cH:3][cH:4][c:5]([S:9](=[O:10])(=[O:11])[NH:12][c:13]2[cH:14][c:15]([S:31](=[O:32])(=[O:33])[OH:34])[cH:16][c:17]3[cH:18][c:19]([S:27](=[O:28])(=[O:29])[OH:30])[cH:20][c:21]([S:23](=[O:24])(=[O:25])[OH:26])[c:22]23)[c:6]([CH3:8])[cH:7]1.[Na+:42].[OH2:35].[OH2:36].[OH2:37].[OH2:74]>>[NH:1]([c:2]1[cH:3][cH:4][c:5]([S:9](=[O:10])(=[O:11])[NH:12][c:13]2[cH:14][c:15]([S:31](=[O:32])(=[O:33])[OH:34])[cH:16][c:17]3[cH:18][c:19]([S:27](=[O:28])(=[O:29])[OH:30])[cH:20][c:21]([S:23](=[O:24])(=[O:25])[OH:26])[c:22]23)[c:6]([CH3:8])[cH:7]1)[C:53](=[O:52])[c:54]1[c:55]([S:63](=[O:64])(=[O:65])[OH:66])[cH:56][c:57]([N+:60](=[O:61])[O-:62])[cH:58][cH:59]1Participants
6
Sources & evidence
- ORD record
- ord-56bbff8e8f0e45349d39e41c01b63c7c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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