Dichloromethane → N-{2-[2-(2-Methoxy-4-piperazin-1-ylmethyl-phenylamino)-pyrrolo[2,1-f][1,2,4]triazin-7-yl]-phenyl}-N-methyl-methanesulfonamide

HRID 2333864Notes

Reaction equation

HRID 2333864 reaction equation
[C:1]([O:2][C:3](=[O:4])[N:8]1[CH2:9][CH2:10][N:11]([CH2:14][c:15]2[cH:16][c:17]([O:43][CH3:44])[c:18]([NH:21][c:22]3[n:23][n:24]4[c:25]([cH:26][n:27]3)[cH:28][cH:29][c:30]4-[c:31]3[c:32]([N:37]([CH3:38])[S:39](=[O:40])(=[O:41])[CH3:42])[cH:33][cH:34][cH:35][cH:36]3)[cH:19][cH:20]2)[CH2:12][CH2:13]1)([CH3:5])([CH3:6])[CH3:7].[CH2:45]([Cl:46])[Cl:47].[OH:48][C:49]([C:50]([F:51])([F:52])[F:53])=[O:54]>>[NH:8]1[CH2:9][CH2:10][N:11]([CH2:14][c:15]2[cH:16][c:17]([O:43][CH3:44])[c:18]([NH:21][c:22]3[n:23][n:24]4[c:25]([cH:26][n:27]3)[cH:28][cH:29][c:30]4-[c:31]3[c:32]([N:37]([CH3:38])[S:39](=[O:40])(=[O:41])[CH3:42])[cH:33][cH:34][cH:35][cH:36]3)[cH:19][cH:20]2)[CH2:12][CH2:13]1

Participants

4

Reactant 3

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 667120714-(4-{7-[2-(Methanesulfonyl-methyl-amino)-phenyl]-pyrrolo[2,1-f][1,2,4]triazin-2-ylamino}-3-methoxy-benzyl)-piperazine-1-carboxylic acid tert-butyl ester

Product 1

HCID 66711969N-{2-[2-(2-Methoxy-4-piperazin-1-ylmethyl-phenylamino)-pyrrolo[2,1-f][1,2,4]triazin-7-yl]-phenyl}-N-methyl-methanesulfonamide

Sources & evidence

ORD record
ord-402c2e81155a4fca9409b6fd1cde09de
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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