Sodium ion → tert-butyl N-[5-methylsulfanyl-4-[3-[5-methyl-1-(2-trimethylsilylethoxymethyl)benzimidazol-4-yl]phenyl]sulfonylthiophene-2-carboximidoyl]carbamate

HRID 1119632Notes

Reaction equation

HRID 1119632 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][C:8](=[NH:9])[c:10]1[s:11][c:12]([S:27][CH3:28])[c:13]([S:15](=[O:16])(=[O:17])[c:18]2[cH:19][c:20]([B:24]([OH:25])[OH:26])[cH:21][cH:22][cH:23]2)[cH:14]1)=[O:29].[C:49](=[O:50])([O-:51])[O-:52].[CH3:55][c:56]1[cH:57][cH:58][cH:59][cH:60][cH:61]1.[I:30][c:31]1[c:32]([CH3:48])[cH:33][cH:34][c:35]2[n:36]([CH2:40][O:41][CH2:42][CH2:43][Si:44]([CH3:45])([CH3:46])[CH3:47])[cH:37][n:38][c:39]12.[Na+:53].[Na+:54].[OH2:139].[cH:62]1[cH:63][cH:64][c:65]([P:66]([Pd:67]([P:68]([c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)([c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)[c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)([P:87]([c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)([c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)[c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)[P:106]([c:107]2[cH:108][cH:109][cH:110][cH:111][cH:112]2)([c:113]2[cH:114][cH:115][cH:116][cH:117][cH:118]2)[c:119]2[cH:120][cH:121][cH:122][cH:123][cH:124]2)([c:125]2[cH:126][cH:127][cH:128][cH:129][cH:130]2)[c:131]2[cH:132][cH:133][cH:134][cH:135][cH:136]2)[cH:137][cH:138]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][C:8](=[NH:9])[c:10]1[s:11][c:12]([S:27][CH3:28])[c:13]([S:15](=[O:16])(=[O:17])[c:18]2[cH:19][c:20](-[c:31]3[c:32]([CH3:48])[cH:33][cH:34][c:35]4[n:36]([CH2:40][O:41][CH2:42][CH2:43][Si:44]([CH3:45])([CH3:46])[CH3:47])[cH:37][n:38][c:39]34)[cH:21][cH:22][cH:23]2)[cH:14]1)=[O:29]

Participants

8

Reactant 7

HCID 923Sodium ion2×HCID 962WaterHCID 1140TolueneHCID 19660Carbonate IonHCID 218867434-Iodo-5-methyl-1-(2-trimethylsilanyl-ethoxymethyl)-1H-benzoimidazoleHCID 140043492[3-[5-[N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]-2-methylsulfanylthiophen-3-yl]sulfonylphenyl]boronic acidHCID 178420554HCID 178420554, compound

Product 1

HCID 145857650tert-butyl N-[5-methylsulfanyl-4-[3-[5-methyl-1-(2-trimethylsilylethoxymethyl)benzimidazol-4-yl]phenyl]sulfonylthiophene-2-carboximidoyl]carbamate

Sources & evidence

ORD record
ord-42557648a8c241319f087ab52a0de85d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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