Methanol → HCID 11273431, compound

HRID 2130026Notes

Reaction equation

HRID 2130026 reaction equation
[Br:1][c:2]1[cH:3][c:4](-[c:8]2[n:9][c:10]([CH3:30])[c:11]3[cH:12][n:13][c:14]([NH:17][c:18]4[cH:19][c:20]([O:28][CH3:29])[c:21]([O:26][CH3:27])[c:22]([O:24][CH3:25])[cH:23]4)[n:15][n:16]23)[cH:5][cH:6][cH:7]1.[CH2:51]1[O:52][CH2:53][CH2:54][O:55][CH2:56]1.[CH3:45][C:46]([CH3:47])([O-:48])[CH3:49].[CH3:57][OH:58].[CH3:59][CH2:60][O:61][C:62](=[O:63])[CH3:64].[NH2:31][c:32]1[cH:33][c:34]([S:38](=[O:39])(=[O:40])[NH:41][CH:42]2[CH2:43][CH2:44]2)[cH:35][cH:36][cH:37]1.[Na+:50]>>[c:2]1([NH:31][c:32]2[cH:33][c:34]([S:38](=[O:39])(=[O:40])[NH:41][CH:42]3[CH2:43][CH2:44]3)[cH:35][cH:36][cH:37]2)[cH:3][c:4](-[c:8]2[n:9][c:10]([CH3:30])[c:11]3[cH:12][n:13][c:14]([NH:17][c:18]4[cH:19][c:20]([O:28][CH3:29])[c:21]([O:26][CH3:27])[c:22]([O:24][CH3:25])[cH:23]4)[n:15][n:16]23)[cH:5][cH:6][cH:7]1

Participants

8

Reactant 7

HCID 887MethanolHCID 923Sodium ionHCID 8857Ethyl AcetateHCID 312751,4-DioxaneHCID 45749132-Methylpropan-2-olateHCID 53030613-amino-N-cyclopropylbenzenesulfonamideHCID 112135557-(3-bromophenyl)-5-methyl-N-(3,4,5-trimethoxyphenyl)-imidazo[5,1-f][1,2,4]triazin-2-amine

Product 1

HCID 11273431HCID 11273431, compound

Sources & evidence

ORD record
ord-752abf03ad804336b5f1d4f7f9772ac7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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