Dichloromethane → 4'-Fluoro-biphenyl-4-carboxylic acid [2-(3-dimethylamino-pyrrolidin-1-yl)-benzooxazol-5-yl]-amide

HRID 172516Notes

Reaction equation

HRID 172516 reaction equation
[CH3:1][N:2]([CH:3]1[CH2:4][N:5]([c:8]2[o:9][c:10]3[c:11]([n:12]2)[cH:13][c:14]([NH2:17])[cH:15][cH:16]3)[CH2:6][CH2:7]1)[CH3:18].[CH:59]([N:60]([CH2:61][CH3:62])[CH:63]([CH3:64])[CH3:65])([CH3:66])[CH3:67].[Cl:68][CH2:69][Cl:70].[F:19][c:20]1[cH:21][cH:22][c:23](-[c:26]2[cH:27][cH:28][c:29]([C:30](=[O:31])[OH:32])[cH:33][cH:34]2)[cH:24][cH:25]1.[P-:35]([F:36])([F:37])([F:38])([F:39])([F:40])[F:41].[n:42]1([O:43][C:44]([N:45]([CH3:46])[CH3:47])=[N+:48]([CH3:49])[CH3:50])[c:51]2[n:52][cH:53][cH:54][cH:55][c:56]2[n:57][n:58]1>>[CH3:1][N:2]([CH:3]1[CH2:4][N:5]([c:8]2[o:9][c:10]3[c:11]([n:12]2)[cH:13][c:14]([NH:17][C:30]([c:29]2[cH:28][cH:27][c:26](-[c:23]4[cH:22][cH:21][c:20]([F:19])[cH:25][cH:24]4)[cH:34][cH:33]2)=[O:31])[cH:15][cH:16]3)[CH2:6][CH2:7]1)[CH3:18]

Participants

7

Reactant 6

HCID 6344DichloromethaneHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 27826894-(4-Fluorophenyl)benzoic acidHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 687717302-(3-Dimethylamino-pyrrolidin-1-yl)-benzooxazol-5-ylamine

Product 1

HCID 766013434'-Fluoro-biphenyl-4-carboxylic acid [2-(3-dimethylamino-pyrrolidin-1-yl)-benzooxazol-5-yl]-amide

Sources & evidence

ORD record
ord-e82527e259624239b313a25c09818ad9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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