Methanol → HCID 66710680, compound

HRID 154965Notes

Reaction equation

HRID 154965 reaction equation
[CH3:1][O:2][c:3]1[c:4]([NH2:22])[cH:5][cH:6][c:7]([N:9]2[CH2:10][CH2:11][N:12]([CH:15]3[CH2:16][CH2:17][N:18]([CH3:21])[CH2:19][CH2:20]3)[CH2:13][CH2:14]2)[cH:8]1.[CH3:23][S:24](=[O:25])[c:26]1[n:27][n:28]2[c:29]([cH:30][n:31]1)[cH:32][cH:33][c:34]2-[c:35]1[c:36]([O:41][CH3:42])[cH:37][cH:38][cH:39][cH:40]1.[CH3:52][O:53][CH2:54][CH2:55][OH:56].[CH3:57][OH:58].[CH:43]([N:44]([CH2:45][CH3:46])[CH:47]([CH3:48])[CH3:49])([CH3:50])[CH3:51]>>[CH3:1][O:2][c:3]1[c:4]([NH:22][c:26]2[n:27][n:28]3[c:29]([cH:30][n:31]2)[cH:32][cH:33][c:34]3-[c:35]2[c:36]([O:41][CH3:42])[cH:37][cH:38][cH:39][cH:40]2)[cH:5][cH:6][c:7]([N:9]2[CH2:10][CH2:11][N:12]([CH:15]3[CH2:16][CH2:17][N:18]([CH3:21])[CH2:19][CH2:20]3)[CH2:13][CH2:14]2)[cH:8]1

Participants

6

Reactant 5

HCID 887MethanolHCID 80192-MethoxyethanolHCID 81531DiisopropylethylamineHCID 574161562-Methoxy-4-(4-(1-methylpiperidin-4-yl)piperazin-1-yl)anilineHCID 667107912-Methanesulfinyl-7-(2-methoxy-phenyl)-pyrrolo[2,1-f][1,2,4]triazine

Product 1

HCID 66710680HCID 66710680, compound

Sources & evidence

ORD record
ord-8e8450bfc2d949658c14c029ccc871ba
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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