2-Mercaptobenzoic Acid → HCID 77572791, compound
Reaction equation
[CH2:1]([CH:2]=[CH2:3])[N:4]1[CH:5]([CH3:15])[CH2:6][N:7]([CH2:11][CH2:12][CH2:13][Cl:14])[CH:8]([CH3:10])[CH2:9]1.[CH2:56]1[O:57][CH2:58][CH2:59][CH2:60]1.[CH:63](=[CH:64][C:65]([CH:66]=[CH:67][c:68]1[cH:69][cH:70][cH:71][cH:72][cH:73]1)=[O:74])[c:75]1[cH:76][cH:77][cH:78][cH:79][cH:80]1.[CH:81](=[CH:82][C:83]([CH:84]=[CH:85][c:86]1[cH:87][cH:88][cH:89][cH:90][cH:91]1)=[O:92])[c:93]1[cH:94][cH:95][cH:96][cH:97][cH:98]1.[CH:99](=[CH:100][C:101]([CH:102]=[CH:103][c:104]1[cH:105][cH:106][cH:107][cH:108][cH:109]1)=[O:110])[c:111]1[cH:112][cH:113][cH:114][cH:115][cH:116]1.[OH:16][C:17]([c:18]1[c:19]([SH:20])[cH:21][cH:22][cH:23][cH:24]1)=[O:25].[Pd:61].[Pd:62].[c:26]1([P:27]([c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[CH2:34][CH2:35][CH2:36][CH2:37][P:38]([c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)[cH:51][cH:52][cH:53][cH:54][cH:55]1>>[NH:4]1[CH:5]([CH3:15])[CH2:6][N:7]([CH2:11][CH2:12][CH2:13][Cl:14])[CH:8]([CH3:10])[CH2:9]1Participants
7
Sources & evidence
- ORD record
- ord-232baa0e53054809b995186f8e0d62b0
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
Loading…