5-Chlorosalicylic Acid → HCID 58531333, compound
Reaction equation
[CH2:28]([NH:29][C:30](=[O:31])[c:32]1[cH:33][c:34]([S:43]([N:35]([CH2:36][c:37]2[cH:38][c:39](-[c:40]3[cH:41][cH:42][c:44]([Cl:45])[cH:46][cH:47]3)[cH:48][cH:49][cH:50]2)[CH2:51][c:52]2[cH:53][cH:54][c:55]([F:56])[cH:57][cH:58]2)(=[O:67])=[O:68])[c:59]([OH:60])[c:61]([Cl:62])[cH:63]1)[c:64]1[cH:65][cH:66][cH:69][cH:70][cH:71]1.[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][NH:7][CH2:8][c:9]2[cH:10][cH:11][c:12]([O:15][c:16]3[cH:17][cH:18][c:19]([C:22]([F:23])([F:24])[F:25])[cH:20][cH:21]3)[cH:13][cH:14]2)[cH:26][cH:27]1.[OH:72][C:73](=[O:74])[c:75]1[cH:76][c:77]([Cl:78])[cH:79][cH:80][c:81]1[OH:82]>>[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][N:7]([CH2:8][c:9]2[cH:10][cH:11][c:12]([O:15][c:16]3[cH:17][cH:18][c:19]([C:22]([F:23])([F:24])[F:25])[cH:20][cH:21]3)[cH:13][cH:14]2)[S:43](=[O:67])(=[O:68])[c:80]2[cH:79][c:77]([Cl:78])[cH:76][c:75]([C:73]([OH:72])=[O:74])[c:81]2[OH:82])[cH:26][cH:27]1Participants
4
Sources & evidence
- ORD record
- ord-e6a15cff59f64b53b2e875f57c32b846
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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