Water → 6-(4-Ethynyl-2-methyl-phenylamino)-7-fluoro-3H-benzoimidazole-5-carboxylic acid cyclopropylmethoxy-amide

HRID 86183

Reaction equation

HRID 86183 reaction equation
[CH2:68]([N+:69]([CH2:70][CH2:71][CH2:72][CH3:73])([CH2:74][CH2:75][CH2:76][CH3:77])[CH2:78][CH2:79][CH2:80][CH3:81])[CH2:82][CH2:83][CH3:84].[CH:1]1([CH2:2][O:3][NH:4][C:5]([c:6]2[c:7]([NH:8][c:9]3[cH:10][cH:11][c:12]([Br:13])[cH:14][c:15]3[CH3:16])[c:17]([F:18])[c:19]3[n:20][cH:21][n:22]([CH2:23][CH2:24][CH2:25][CH:26]([OH:27])[CH2:28][OH:29])[c:30]3[cH:31]2)=[O:32])[CH2:33][CH2:34]1.[CH:35]1([CH2:38][O:39][NH:40][C:41](=[O:42])[c:43]2[cH:44][c:45]3[c:46]([n:47][cH:48][nH:49]3)[c:50]([F:66])[c:51]2[NH:52][c:53]2[c:54]([CH3:65])[cH:55][c:56]([C:59]#[C:60][Si:61]([CH3:62])([CH3:63])[CH3:64])[cH:57][cH:58]2)[CH2:36][CH2:37]1.[F-:67].[O:86]1[CH2:87][CH2:88][CH2:89][CH2:90]1.[OH2:85]>>[CH:35]1([CH2:38][O:39][NH:40][C:41](=[O:42])[c:43]2[cH:44][c:45]3[c:46]([n:47][cH:48][nH:49]3)[c:50]([F:66])[c:51]2[NH:52][c:53]2[c:54]([CH3:65])[cH:55][c:56]([C:59]#[CH:60])[cH:57][cH:58]2)[CH2:36][CH2:37]1

Participants

7

Reactant 6

HCID 962WaterHCID 8028TetrahydrofuranHCID 16028TetrabutylammoniumHCID 28179Fluoride IonHCID 865905277-Fluoro-6-(2-methyl-4-trimethylsilanylethynyl-phenylamino)-3H-benzoimidazole-5-carboxylic acid cyclopropylmethoxyamideHCID 865990166-(4-Bromo-2-methyl-phenylamino)-3-(4,5-dihydroxy-pentyl)-7-fluoro-3H-benzoimidazole-5-carboxylic acid cyclopropylmethoxy-amide

Product 1

HCID 588906896-(4-Ethynyl-2-methyl-phenylamino)-7-fluoro-3H-benzoimidazole-5-carboxylic acid cyclopropylmethoxy-amide

Sources & evidence

ORD record
ord-9102acda1b66456f9d5e3c407bf8bfe3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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