1-[4-(4-Amino-3-methoxyphenyl)piperazin-1-yl]propan-2-ol → 1-[4-[3-Methoxy-4-[[7-(2-methylsulfonylphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]piperazin-1-yl]propan-2-ol

HRID 123535Notes

Reaction equation

HRID 123535 reaction equation
[CH3:20][S:21](=[O:22])[c:23]1[n:24][n:25]2[c:26]([cH:27][n:28]1)[cH:29][cH:30][c:31]2-[c:32]1[c:33]([S:38](=[O:39])(=[O:40])[CH3:41])[cH:34][cH:35][cH:36][cH:37]1.[NH2:1][c:2]1[c:3]([O:18][CH3:19])[cH:4][c:5]([N:8]2[CH2:9][CH2:10][N:11]([CH2:14][CH:15]([CH3:16])[OH:17])[CH2:12][CH2:13]2)[cH:6][cH:7]1>>[NH:1]([c:2]1[c:3]([O:18][CH3:19])[cH:4][c:5]([N:8]2[CH2:9][CH2:10][N:11]([CH2:14][CH:15]([CH3:16])[OH:17])[CH2:12][CH2:13]2)[cH:6][cH:7]1)[c:23]1[n:24][n:25]2[c:26]([cH:27][n:28]1)[cH:29][cH:30][c:31]2-[c:32]1[c:33]([S:38](=[O:39])(=[O:40])[CH3:41])[cH:34][cH:35][cH:36][cH:37]1

Participants

3

Reactant 2

HCID 667109991-[4-(4-Amino-3-methoxyphenyl)piperazin-1-yl]propan-2-olHCID 667114062-Methanesulfinyl-7-(2-methanesulfonyl-phenyl)-pyrrolo[2,1-f][1,2,4]triazine

Product 1

HCID 667114081-[4-[3-Methoxy-4-[[7-(2-methylsulfonylphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]piperazin-1-yl]propan-2-ol

Sources & evidence

ORD record
ord-ac82ed3dc6e04fdd84e6d012d764cc6e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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