Dimethylformamide → [4-(4-{[1-(2,4-Difluorophenylcarbamoyl)cyclopropanecarbonyl]amino}-3-fluorophenoxy)pyridin-2-yl]-N-(phenoxycarbonyl)carbamic acid phenyl ester

HRID 205368Notes

Reaction equation

HRID 205368 reaction equation
[CH3:52][CH2:53][N:54]([CH2:55][CH3:56])[CH2:57][CH3:58].[CH3:86][N:87]([CH3:88])[CH:89]=[O:90].[F:35][c:36]1[c:37]([NH:43][C:44](=[O:45])[C:46]2([C:49](=[O:50])[OH:51])[CH2:47][CH2:48]2)[cH:38][cH:39][c:40]([F:42])[cH:41]1.[P-:59]([F:60])([F:61])([F:62])([F:63])([F:64])[F:65].[c:1]1([O:7][C:8]([N:9]([C:10](=[O:11])[O:12][c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[c:19]2[n:20][cH:21][cH:22][c:23]([O:25][c:26]3[cH:27][c:28]([F:33])[c:29]([NH2:32])[cH:30][cH:31]3)[cH:24]2)=[O:34])[cH:2][cH:3][cH:4][cH:5][cH:6]1.[n:66]1([O:67][P+:68]([N:69]([CH3:70])[CH3:71])([N:72]([CH3:73])[CH3:74])[N:75]([CH3:76])[CH3:77])[c:78]2[cH:79][cH:80][cH:81][cH:82][c:83]2[n:84][n:85]1>>[c:1]1([O:7][C:8]([N:9]([C:10](=[O:11])[O:12][c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[c:19]2[n:20][cH:21][cH:22][c:23]([O:25][c:26]3[cH:27][c:28]([F:33])[c:29]([NH:32][C:49]([C:46]4([C:44]([NH:43][c:37]5[c:36]([F:35])[cH:41][c:40]([F:42])[cH:39][cH:38]5)=[O:45])[CH2:47][CH2:48]4)=[O:50])[cH:30][cH:31]3)[cH:24]2)=[O:34])[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

7

Reactant 6

HCID 6228DimethylformamideHCID 8471TriethylamineHCID 9886HexafluorophosphateHCID 124335Benzotriazol-1-yloxy-tris(dimethylamino)phosphoniumHCID 190968281-(2,4-Difluorophenylcarbamoyl)cyclopropanecarboxylic acidHCID 67136032[4-(4-amino-3-fluorophenoxy)pyridin-2-yl]-N-(phenoxycarbonyl)carbamic acid phenyl ester

Product 1

HCID 59596952[4-(4-{[1-(2,4-Difluorophenylcarbamoyl)cyclopropanecarbonyl]amino}-3-fluorophenoxy)pyridin-2-yl]-N-(phenoxycarbonyl)carbamic acid phenyl ester

Sources & evidence

ORD record
ord-54d3ffafa261406aab43b0182c5d3d55
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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