Benzoic Acid → HCID 72804131, compound
Reaction equation
[C:1]([CH3:2])(=[O:3])[c:4]1[cH:5][c:6]([Cl:34])[c:7]([O:8][CH2:9][CH2:10][O:11][c:12]2[c:13](-[c:24]3[cH:25][c:26]([F:31])[c:27]([F:30])[cH:28][cH:29]3)[n:14]([CH3:23])[c:15]3[cH:16][cH:17][cH:18][cH:19][c:20]3[c:21]2=[O:22])[cH:32][cH:33]1.[CH2:51]1[CH2:52][CH2:53][NH:54][CH2:55][CH2:56]1.[CH3:57][c:58]1[cH:59][cH:60][cH:61][cH:62][cH:63]1.[OH:42][C:43]([c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1)=[O:50].[S:35]1[C:36](=[O:41])[NH:37][C:38](=[O:40])[CH2:39]1>>[C:1]([CH3:2])([c:4]1[cH:5][c:6]([Cl:34])[c:7]([O:8][CH2:9][CH2:10][O:11][c:12]2[c:13](-[c:24]3[cH:25][c:26]([F:31])[c:27]([F:30])[cH:28][cH:29]3)[n:14]([CH3:23])[c:15]3[cH:16][cH:17][cH:18][cH:19][c:20]3[c:21]2=[O:22])[cH:32][cH:33]1)=[C:39]1[S:35][C:36](=[O:41])[NH:37][C:38]1=[O:40]Participants
6
Sources & evidence
- ORD record
- ord-2397d22e4d1c4ffdaf838019aa3491f9
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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