3-Aminobenzenesulfonic acid → HCID 73315678, compound
Reaction equation
[C:45](=[O:46])([c:47]1[nH:48][cH:49][cH:50][n:51]1)[c:52]1[nH:53][cH:54][cH:55][n:56]1.[CH:36]([N:37]([CH2:38][CH3:39])[CH:40]([CH3:41])[CH3:42])([CH3:43])[CH3:44].[CH:57]([N:58]([CH:59]([CH3:60])[CH3:61])[CH2:62][CH3:63])([CH3:64])[CH3:65].[Cl:1][CH2:2][CH:3]1[CH2:4][N:5]([C:17](=[O:18])[c:19]2[nH:20][c:21]3[cH:22][cH:23][c:24]([NH:28][C:29]([CH2:30][CH2:31][S:32][S:33][CH3:34])=[O:35])[cH:25][c:26]3[cH:27]2)[c:6]2[cH:7][c:8]([OH:16])[c:9]3[c:10]([c:11]21)[cH:12][cH:13][cH:14][cH:15]3.[NH2:66][c:67]1[cH:68][c:69]([S:73](=[O:74])(=[O:75])[OH:76])[cH:70][cH:71][cH:72]1>>[Cl:1][CH2:2][CH:3]1[CH2:4][N:5]([C:17](=[O:18])[c:19]2[nH:20][c:21]3[cH:22][cH:23][c:24]([NH:28][C:29]([CH2:30][CH2:31][S:32][S:33][CH3:34])=[O:35])[cH:25][c:26]3[cH:27]2)[c:6]2[cH:7][c:8]([O:16][C:45](=[O:46])[NH:66][c:67]3[cH:68][c:69]([S:73](=[O:74])(=[O:75])[OH:76])[cH:70][cH:71][cH:72]3)[c:9]3[c:10]([c:11]21)[cH:12][cH:13][cH:14][cH:15]3Participants
5
Sources & evidence
- ORD record
- ord-5b930c1568eb4539a86373db7c261d1f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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