Benzoic Acid → HCID 67007525, compound
Reaction equation
[BH:14]([OH:15])[OH:16].[Br:1][c:2]1[cH:3][c:4]([S:8][CH:9]([C:10](=[O:11])[NH2:12])[CH3:13])[cH:5][cH:6][cH:7]1.[C:17](=[O:18])([OH:19])[c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1.[C:26](=[O:27])([O-:28])[O-:29].[K+:30].[K+:31].[O:32]1[CH2:33][CH2:34][O:35][CH2:36][CH2:37]1.[OH2:38].[c:39]1([PH:40]([Pd:41]([PH:42]([c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)([c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)[c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)([PH:61]([c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)([c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)[c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)[PH:80]([c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)([c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)[c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)([c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)[c:105]2[cH:106][cH:107][cH:108][cH:109][cH:110]2)[cH:111][cH:112][cH:113][cH:114][cH:115]1>>[c:2]1(-[c:23]2[cH:22][cH:21][c:20]([C:17](=[O:18])[OH:19])[cH:25][cH:24]2)[cH:3][c:4]([S:8][CH:9]([C:10](=[O:11])[NH2:12])[CH3:13])[cH:5][cH:6][cH:7]1Participants
9
Sources & evidence
- ORD record
- ord-e8c32fad73754260b414a57e148f8b79
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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