Sodium ion → N-(3-(5-Amino-6-methoxypyridin-3-yl)-2-methylphenyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-2-carboxamide

HRID 158200

Reaction equation

HRID 158200 reaction equation
[Br:1][c:2]1[cH:3][c:4]([NH2:10])[c:5]([O:8][CH3:9])[n:6][cH:7]1.[C:116](=[O:117])([O-:118])[O-:119].[CH3:11][c:12]1[c:13]([NH:27][C:28](=[O:29])[c:30]2[cH:31][c:32]3[c:33]([s:34]2)[CH2:35][CH2:36][CH2:37][CH2:38]3)[cH:14][cH:15][cH:16][c:17]1[B:18]1[O:19][C:20]([CH3:21])([CH3:22])[C:23]([CH3:24])([CH3:25])[O:26]1.[Na+:120].[Na+:121].[cH:39]1[cH:40][cH:41][c:42]([P:43]([Pd:44]([P:45]([c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)([c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)[c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)([P:64]([c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)([c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)[c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)[P:83]([c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)([c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)[c:96]2[cH:97][cH:98][cH:99][cH:100][cH:101]2)([c:102]2[cH:103][cH:104][cH:105][cH:106][cH:107]2)[c:108]2[cH:109][cH:110][cH:111][cH:112][cH:113]2)[cH:114][cH:115]1>>[c:2]1(-[c:17]2[c:12]([CH3:11])[c:13]([NH:27][C:28](=[O:29])[c:30]3[cH:31][c:32]4[c:33]([s:34]3)[CH2:35][CH2:36][CH2:37][CH2:38]4)[cH:14][cH:15][cH:16]2)[cH:3][c:4]([NH2:10])[c:5]([O:8][CH3:9])[n:6][cH:7]1

Participants

6

Reactant 5

HCID 923Sodium ion2×HCID 19660Carbonate IonHCID 447548695-Bromo-2-methoxypyridin-3-amineHCID 58729134N-(2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-2-carboxamideHCID 178420554HCID 178420554, compound

Product 1

HCID 59740583N-(3-(5-Amino-6-methoxypyridin-3-yl)-2-methylphenyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-2-carboxamide

Sources & evidence

ORD record
ord-e22de61e350f496281cb4e82763e5f94
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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