Ethanol → tert-butyl N-[4-[3-(2-amino-6-methylphenyl)phenyl]sulfonyl-5-methylsulfanylthiophene-2-carboximidoyl]carbamate
Reaction equation
[C:18]([CH3:19])([CH3:20])([CH3:21])[O:22][C:23]([NH:24][C:25](=[NH:26])[c:27]1[s:28][c:29]([S:42][CH3:43])[c:30]([S:32](=[O:33])(=[O:34])[c:35]2[cH:36][c:37]([Br:41])[cH:38][cH:39][cH:40]2)[cH:31]1)=[O:44].[C:45](=[O:46])([O-:47])[O-:48].[CH3:131][c:132]1[cH:133][cH:134][cH:135][cH:136][cH:137]1.[CH3:1][c:2]1[c:3]([B:9]2[O:10][C:11]([CH3:12])([CH3:13])[C:14]([CH3:15])([CH3:16])[O:17]2)[c:4]([NH2:8])[cH:5][cH:6][cH:7]1.[CH3:51][CH2:52][OH:53].[Na+:49].[Na+:50].[cH:54]1[cH:55][cH:56][c:57]([P:58]([Pd:59]([P:60]([c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)([c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)[c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)([P:79]([c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)([c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)[c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)[P:98]([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)[c:111]2[cH:112][cH:113][cH:114][cH:115][cH:116]2)([c:117]2[cH:118][cH:119][cH:120][cH:121][cH:122]2)[c:123]2[cH:124][cH:125][cH:126][cH:127][cH:128]2)[cH:129][cH:130]1>>[CH3:1][c:2]1[c:3](-[c:37]2[cH:36][c:35]([S:32]([c:30]3[c:29]([S:42][CH3:43])[s:28][c:27]([C:25]([NH:24][C:23]([O:22][C:18]([CH3:19])([CH3:20])[CH3:21])=[O:44])=[NH:26])[cH:31]3)(=[O:33])=[O:34])[cH:40][cH:39][cH:38]2)[c:4]([NH2:8])[cH:5][cH:6][cH:7]1Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-b96435843f8a4214b7390f0a34e77a49
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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