Dimethylformamide → 2-Chloro-5-(3-Methyl-Benzoylamino)-N-{2-[4-(3-Pyrrolidin-1-yl-Propane-1-Sulfonyl)-Phenylamino]-Pyrimidin-5-yl}-Benzamide

HRID 1544631Notes

Reaction equation

HRID 1544631 reaction equation
[CH3:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[NH:7][c:8]2[cH:9][cH:10][c:11]([Cl:17])[c:12]([C:13](=[O:14])[OH:15])[cH:16]2)[cH:18][cH:19][cH:20]1.[CH3:32][N:33]1[CH2:34][CH2:35][O:36][CH2:37][CH2:38]1.[Cl:21][c:22]1[n:23][c:24]([O:25][CH3:26])[n:27][c:28]([O:29][CH3:30])[n:31]1.[Cl:64][CH2:65][Cl:66].[N:39]1([CH2:44][CH2:45][CH2:46][S:47](=[O:48])(=[O:49])[c:50]2[cH:51][cH:52][c:53]([NH:56][c:57]3[n:58][cH:59][c:60]([NH2:63])[cH:61][n:62]3)[cH:54][cH:55]2)[CH2:40][CH2:41][CH2:42][CH2:43]1.[O:67]=[CH:68][N:69]([CH3:70])[CH3:71]>>[CH3:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[NH:7][c:8]2[cH:9][cH:10][c:11]([Cl:17])[c:12]([C:13](=[O:15])[NH:63][c:60]3[cH:59][n:58][c:57]([NH:56][c:53]4[cH:52][cH:51][c:50]([S:47]([CH2:46][CH2:45][CH2:44][N:39]5[CH2:40][CH2:41][CH2:42][CH2:43]5)(=[O:48])=[O:49])[cH:55][cH:54]4)[n:62][cH:61]3)[cH:16]2)[cH:18][cH:19][cH:20]1

Participants

7

Reactant 6

HCID 6228DimethylformamideHCID 6344DichloromethaneHCID 79724-MethylmorpholineHCID 184502-Chloro-4,6-dimethoxy-1,3,5-triazineHCID 286666905-(3-Methylbenzamido)-2-Chlorobenzoic AcidHCID 58748692N-[4-(3-Pyrrolidin-1-yl-propane-1-sulfonyl)-phenyl]-pyrimidine-2,5-diamine

Product 1

HCID 249603662-Chloro-5-(3-Methyl-Benzoylamino)-N-{2-[4-(3-Pyrrolidin-1-yl-Propane-1-Sulfonyl)-Phenylamino]-Pyrimidin-5-yl}-Benzamide

Sources & evidence

ORD record
ord-69c7bd7c6dbb443eb84ab818c47d6bab
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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