Dichloromethane → tert-butyl 2-(2,6-difluorophenyl)-4-(5-(4-fluoro-5-(2,2,2-trifluoroacetamido)azepan-1-yl)-1-methyl-1H-pyrazol-4-ylcarbamoyl)thiazol-5-ylcarbamate

HRID 662749Notes

Reaction equation

HRID 662749 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][c:9]1[c:10]([C:22](=[O:23])[OH:24])[n:11][c:12](-[c:14]2[c:15]([F:21])[cH:16][cH:17][cH:18][c:19]2[F:20])[s:13]1.[CH:80]([N:81]([CH2:82][CH3:83])[CH:84]([CH3:85])[CH3:86])([CH3:87])[CH3:88].[Cl:89][CH2:90][Cl:91].[NH2:58][c:59]1[cH:60][n:61][n:62]([CH3:79])[c:63]1[N:64]1[CH2:65][CH2:66][CH:67]([NH:72][C:73]([C:74]([F:75])([F:76])[F:77])=[O:78])[CH:68]([F:71])[CH2:69][CH2:70]1.[P-:25]([F:26])([F:27])([F:28])([F:29])([F:30])[F:31].[n:32]1([O:33][P+:34]([N:35]2[CH2:36][CH2:37][CH2:38][CH2:39]2)([N:40]2[CH2:41][CH2:42][CH2:43][CH2:44]2)[N:45]2[CH2:46][CH2:47][CH2:48][CH2:49]2)[c:50]2[cH:51][cH:52][cH:53][cH:54][c:55]2[n:56][n:57]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][c:9]1[c:10]([C:22](=[O:23])[NH:58][c:59]2[cH:60][n:61][n:62]([CH3:79])[c:63]2[N:64]2[CH2:65][CH2:66][CH:67]([NH:72][C:73]([C:74]([F:75])([F:76])[F:77])=[O:78])[CH:68]([F:71])[CH2:69][CH2:70]2)[n:11][c:12](-[c:14]2[c:15]([F:21])[cH:16][cH:17][cH:18][c:19]2[F:20])[s:13]1

Participants

7

Reactant 6

HCID 6344DichloromethaneHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 2724700Benzotriazol-1-yl-oxytripyrrolidinophosphoniumHCID 674381985-((Tert-butoxycarbonyl)amino)-2-(2,6-difluorophenyl)thiazole-4-carboxylic acidHCID 86680076N-(1-(4-Amino-1-methyl-1H-pyrazol-5-yl)-5-fluoroazepan-4-yl)-2,2,2-trifluoroacetamide

Product 1

HCID 86680075tert-butyl 2-(2,6-difluorophenyl)-4-(5-(4-fluoro-5-(2,2,2-trifluoroacetamido)azepan-1-yl)-1-methyl-1H-pyrazol-4-ylcarbamoyl)thiazol-5-ylcarbamate

Sources & evidence

ORD record
ord-833b4a746f1644cebc91fe4925d0a4c6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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