Dimethylformamide → {4'-[4-(4-Methanesulfonyl-piperazin-1-ylmethyl)-phenylcarbamoyl]-6-trifluoromethoxy-biphenyl-3-yl}-carbamic acid tert-butyl ester

HRID 2331809Notes

Reaction equation

HRID 2331809 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][c:9]1[cH:10][cH:11][c:12]([O:24][C:25]([F:26])([F:27])[F:28])[c:13](-[c:15]2[cH:16][cH:17][c:18]([C:21](=[O:22])[OH:23])[cH:19][cH:20]2)[cH:14]1.[CH3:29][S:30](=[O:31])(=[O:32])[N:33]1[CH2:34][CH2:35][N:36]([CH2:39][c:40]2[cH:41][cH:42][c:43]([NH2:46])[cH:44][cH:45]2)[CH2:37][CH2:38]1.[CH3:71][N:72]1[CH2:73][CH2:74][O:75][CH2:76][CH2:77]1.[O:78]=[CH:79][N:80]([CH3:81])[CH3:82].[P-:47]([F:48])([F:49])([F:50])([F:51])([F:52])[F:53].[n:54]1([O:55][C:56]([N:57]([CH3:58])[CH3:59])=[N+:60]([CH3:61])[CH3:62])[c:63]2[cH:64][cH:65][cH:66][cH:67][c:68]2[n:69][n:70]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][c:9]1[cH:10][cH:11][c:12]([O:24][C:25]([F:26])([F:27])[F:28])[c:13](-[c:15]2[cH:16][cH:17][c:18]([C:21](=[O:22])[NH:46][c:43]3[cH:42][cH:41][c:40]([CH2:39][N:36]4[CH2:35][CH2:34][N:33]([S:30]([CH3:29])(=[O:31])=[O:32])[CH2:38][CH2:37]4)[cH:45][cH:44]3)[cH:19][cH:20]2)[cH:14]1

Participants

7

Reactant 6

HCID 6228DimethylformamideHCID 79724-MethylmorpholineHCID 9886HexafluorophosphateHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 113692314-(4-Methanesulfonyl-piperazin-1-ylmethyl)-phenylamineHCID 598223415'-tert-Butoxycarbonylamino-2'-trifluoromethoxy-biphenyl-4-carboxylic acid

Product 1

HCID 59822388{4'-[4-(4-Methanesulfonyl-piperazin-1-ylmethyl)-phenylcarbamoyl]-6-trifluoromethoxy-biphenyl-3-yl}-carbamic acid tert-butyl ester

Sources & evidence

ORD record
ord-ae74f18523be42bb93076e7702d7c64f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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