Dimethylformamide → ({6-Chloro-4'[4-(4-methanesulfonyl-piperazin-1-ylmethyl)-phenylcarbamoyl]-biphenyl-3-ylcarbamoyl}-methyl)-methyl-carbamic acid tert-butyl ester

HRID 1575117Notes

Reaction equation

HRID 1575117 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]([CH2:9][C:10](=[O:11])[NH:12][c:13]1[cH:14][cH:15][c:16]([Cl:28])[c:17](-[c:19]2[cH:20][cH:21][c:22]([C:25](=[O:26])[OH:27])[cH:23][cH:24]2)[cH:18]1)[CH3:29].[CH3:30][S:31](=[O:32])(=[O:33])[N:34]1[CH2:35][CH2:36][N:37]([CH2:40][c:41]2[cH:42][cH:43][c:44]([NH2:47])[cH:45][cH:46]2)[CH2:38][CH2:39]1.[CH3:72][N:73]1[CH2:74][CH2:75][O:76][CH2:77][CH2:78]1.[O:79]=[CH:80][N:81]([CH3:82])[CH3:83].[P-:48]([F:49])([F:50])([F:51])([F:52])([F:53])[F:54].[n:55]1([O:56][C:57]([N:58]([CH3:59])[CH3:60])=[N+:61]([CH3:62])[CH3:63])[c:64]2[cH:65][cH:66][cH:67][cH:68][c:69]2[n:70][n:71]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]([CH2:9][C:10](=[O:11])[NH:12][c:13]1[cH:14][cH:15][c:16]([Cl:28])[c:17](-[c:19]2[cH:20][cH:21][c:22]([C:25](=[O:26])[NH:47][c:44]3[cH:43][cH:42][c:41]([CH2:40][N:37]4[CH2:36][CH2:35][N:34]([S:31]([CH3:30])(=[O:32])=[O:33])[CH2:39][CH2:38]4)[cH:46][cH:45]3)[cH:23][cH:24]2)[cH:18]1)[CH3:29]

Participants

7

Reactant 6

HCID 6228DimethylformamideHCID 79724-MethylmorpholineHCID 9886HexafluorophosphateHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 113692314-(4-Methanesulfonyl-piperazin-1-ylmethyl)-phenylamineHCID 673744955'-[2-(tert-Butoxycarbonyl-methyl-amino)-acetylamino]-2'-chloro-biphenyl-4-carboxylic acid

Product 1

HCID 67374257({6-Chloro-4'[4-(4-methanesulfonyl-piperazin-1-ylmethyl)-phenylcarbamoyl]-biphenyl-3-ylcarbamoyl}-methyl)-methyl-carbamic acid tert-butyl ester

Sources & evidence

ORD record
ord-2253fd8658fd4e6d9aa971c37253824a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

Loading…