1-Methoxy-2-propanol → {3-[7-(2-Methoxy-phenyl)-pyrrolo[2,1-f][1,2,4]triazin-2-ylamino]-phenyl}-(4-methyl-piperazin-1-yl)-methanone

HRID 98981Notes

Reaction equation

HRID 98981 reaction equation
[CH3:1][S:2](=[O:3])[c:4]1[n:5][n:6]2[c:7]([cH:8][n:9]1)[cH:10][cH:11][c:12]2-[c:13]1[c:14]([O:19][CH3:20])[cH:15][cH:16][cH:17][cH:18]1.[CH3:46][O:47][CH2:48][CH:49]([OH:50])[CH3:51].[CH:21]([N:22]([CH2:23][CH3:24])[CH:25]([CH3:26])[CH3:27])([CH3:28])[CH3:29].[NH2:30][c:31]1[cH:32][c:33]([C:37](=[O:38])[N:39]2[CH2:40][CH2:41][N:42]([CH3:45])[CH2:43][CH2:44]2)[cH:34][cH:35][cH:36]1>>[c:4]1([NH:30][c:31]2[cH:32][c:33]([C:37](=[O:38])[N:39]3[CH2:40][CH2:41][N:42]([CH3:45])[CH2:43][CH2:44]3)[cH:34][cH:35][cH:36]2)[n:5][n:6]2[c:7]([cH:8][n:9]1)[cH:10][cH:11][c:12]2-[c:13]1[c:14]([O:19][CH3:20])[cH:15][cH:16][cH:17][cH:18]1

Participants

5

Reactant 4

HCID 79001-Methoxy-2-propanolHCID 81531DiisopropylethylamineHCID 167732183-((4-Methyl-1-piperazinyl)carbonyl)anilineHCID 667107912-Methanesulfinyl-7-(2-methoxy-phenyl)-pyrrolo[2,1-f][1,2,4]triazine

Product 1

HCID 66711194{3-[7-(2-Methoxy-phenyl)-pyrrolo[2,1-f][1,2,4]triazin-2-ylamino]-phenyl}-(4-methyl-piperazin-1-yl)-methanone

Sources & evidence

ORD record
ord-7dcc314ccbab46aea6fa04ffc1b4bc25
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

Loading…