2-Mercaptobenzoic Acid → HCID 178469241, compound

HRID 814284Notes

Reaction equation

HRID 814284 reaction equation
[CH2:31]([CH3:32])[O:33][C:34](=[O:35])[CH:36]1[CH2:37][CH2:38][N:39]([C:42]([c:43]2[cH:44][c:45]([CH:49]([c:50]3[cH:51][c:52]([OH:56])[cH:53][cH:54][cH:55]3)[N:57]3[CH:58]([CH3:67])[CH2:59][N:60]([CH2:64][CH:65]=[CH2:66])[CH:61]([CH3:63])[CH2:62]3)[cH:46][cH:47][cH:48]2)=[O:68])[CH2:40][CH2:41]1.[CH2:79]1[O:80][CH2:81][CH2:82][CH2:83]1.[OH:69][C:70]([c:71]1[c:72]([SH:73])[cH:74][cH:75][cH:76][cH:77]1)=[O:78].[c:1]1([P:2]([c:3]2[cH:4][cH:5][cH:6][cH:7][cH:8]2)[CH2:9][CH2:10][CH2:11][CH2:12][P:13]([c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[cH:26][cH:27][cH:28][cH:29][cH:30]1>>[CH2:31]([CH3:32])[O:33][C:34](=[O:35])[CH:36]1[CH2:37][CH2:38][N:39]([C:42]([c:43]2[cH:44][c:45]([CH:49]([c:50]3[cH:51][c:52]([OH:56])[cH:53][cH:54][cH:55]3)[N:57]3[CH:58]([CH3:67])[CH2:59][NH:60][CH:61]([CH3:63])[CH2:62]3)[cH:46][cH:47][cH:48]2)=[O:68])[CH2:40][CH2:41]1

Participants

5

Sources & evidence

ORD record
ord-648e4b2cf1634b1dba410ab9715e5eca
Source dataset
Test data from https://doi.org/10.1039/C8SC04228D

Reaction notes

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