1-Methoxy-2-propanol → 2-(4-{4-[7-(3-tert-Butylsulfamoyl-phenyl)-pyrrolo[2,1-f][1,2,4]triazin-2-ylamino]-2-fluoro-phenyl}-piperazin-1-yl)-acetamide

HRID 1566866Notes

Reaction equation

HRID 1566866 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[NH:5][S:6](=[O:7])(=[O:8])[c:9]1[cH:10][c:11](-[c:15]2[cH:16][cH:17][c:18]3[cH:19][n:20][c:21]([OH:24])[n:22][n:23]23)[cH:12][cH:13][cH:14]1.[CH3:34][O:35][CH2:36][CH:37]([OH:38])[CH3:39].[CH:25]([N:26]([CH2:27][CH3:28])[CH:29]([CH3:30])[CH3:31])([CH3:32])[CH3:33].[NH2:40][c:41]1[cH:42][c:43]([F:57])[c:44]([N:47]2[CH2:48][CH2:49][N:50]([CH2:53][C:54](=[O:55])[NH2:56])[CH2:51][CH2:52]2)[cH:45][cH:46]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[NH:5][S:6](=[O:7])(=[O:8])[c:9]1[cH:10][c:11](-[c:15]2[cH:16][cH:17][c:18]3[cH:19][n:20][c:21]([NH:40][c:41]4[cH:42][c:43]([F:57])[c:44]([N:47]5[CH2:48][CH2:49][N:50]([CH2:53][C:54](=[O:55])[NH2:56])[CH2:51][CH2:52]5)[cH:45][cH:46]4)[n:22][n:23]23)[cH:12][cH:13][cH:14]1

Participants

5

Reactant 4

HCID 79001-Methoxy-2-propanolHCID 81531DiisopropylethylamineHCID 667125502-[4-(4-Amino-2-fluoro-phenyl)-piperazin-1-yl]-acetamideHCID 178449976HCID 178449976, compound

Product 1

HCID 667123142-(4-{4-[7-(3-tert-Butylsulfamoyl-phenyl)-pyrrolo[2,1-f][1,2,4]triazin-2-ylamino]-2-fluoro-phenyl}-piperazin-1-yl)-acetamide

Sources & evidence

ORD record
ord-24f38a7d6588480ea632ae46e94288d4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

Loading…