p-Toluenesulfonic acid → HCID 66863940, compound
Reaction equation
[C:1](=[O:2])([n:3]1[cH:4][cH:5][n:6][cH:7]1)[n:8]1[cH:9][cH:10][n:11][cH:12]1.[Cl:56][CH2:57][Cl:58].[NH2:37][c:38]1[c:39]([NH:44][C:45](=[O:46])[c:47]2[s:48][c:49]3[c:54]([n:55]2)[CH2:53][CH2:52][NH:51][CH2:50]3)[cH:40][cH:41][cH:42][cH:43]1.[O:59]=[CH:60][N:61]([CH3:62])[CH3:63].[OH:13][c:14]1[cH:15][cH:16][c:17](-[c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[cH:18][cH:19]1.[c:26]1([CH3:27])[cH:28][cH:29][c:30]([S:31]([OH:32])(=[O:33])=[O:34])[cH:35][cH:36]1>>[C:1](=[O:2])([O:13][c:14]1[cH:15][cH:16][c:17](-[c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[cH:18][cH:19]1)[N:51]1[CH2:50][c:49]2[s:48][c:47]([C:45]([NH:44][c:39]3[c:38]([NH2:37])[cH:43][cH:42][cH:41][cH:40]3)=[O:46])[n:55][c:54]2[CH2:53][CH2:52]1Participants
7
Sources & evidence
- ORD record
- ord-c71311094d0143409c9c2862d4d6589e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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