Dimethylformamide → Tert-butyl 2-[[4-chloro-3-[4-[[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]carbamoyl]phenyl]phenyl]carbamoyl]pyrrolidine-1-carboxylate

HRID 196335Notes

Reaction equation

HRID 196335 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([C:13]([NH:14][c:15]2[cH:16][c:17](-[c:22]3[cH:23][cH:24][c:25]([C:28](=[O:29])[OH:30])[cH:26][cH:27]3)[c:18]([Cl:21])[cH:19][cH:20]2)=[O:31])[CH2:10][CH2:11][CH2:12]1.[CH3:32][S:33](=[O:34])(=[O:35])[N:36]1[CH2:37][CH2:38][N:39]([CH2:42][c:43]2[cH:44][cH:45][c:46]([NH2:49])[cH:47][cH:48]2)[CH2:40][CH2:41]1.[CH3:74][N:75]1[CH2:76][CH2:77][O:78][CH2:79][CH2:80]1.[O:81]=[CH:82][N:83]([CH3:84])[CH3:85].[P-:50]([F:51])([F:52])([F:53])([F:54])([F:55])[F:56].[n:57]1([O:58][C:59]([N:60]([CH3:61])[CH3:62])=[N+:63]([CH3:64])[CH3:65])[c:66]2[cH:67][cH:68][cH:69][cH:70][c:71]2[n:72][n:73]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([C:13]([NH:14][c:15]2[cH:16][c:17](-[c:22]3[cH:23][cH:24][c:25]([C:28](=[O:29])[NH:49][c:46]4[cH:45][cH:44][c:43]([CH2:42][N:39]5[CH2:38][CH2:37][N:36]([S:33]([CH3:32])(=[O:34])=[O:35])[CH2:41][CH2:40]5)[cH:48][cH:47]4)[cH:26][cH:27]3)[c:18]([Cl:21])[cH:19][cH:20]2)=[O:31])[CH2:10][CH2:11][CH2:12]1

Participants

7

Reactant 6

HCID 6228DimethylformamideHCID 79724-MethylmorpholineHCID 9886HexafluorophosphateHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 113692314-(4-Methanesulfonyl-piperazin-1-ylmethyl)-phenylamineHCID 673728224-[2-Chloro-5-[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]phenyl]benzoic acid

Product 1

HCID 67370745Tert-butyl 2-[[4-chloro-3-[4-[[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]carbamoyl]phenyl]phenyl]carbamoyl]pyrrolidine-1-carboxylate

Sources & evidence

ORD record
ord-24f618faab0e4234b758cf6ca7d9f69e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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