Chloride → 5-[4-(cyclopropylsulfonyl)-1H-indazol-1-yl]-1-[5-(1,2-dihydroxy-2-methylpropyl)pyridin-2-yl]-6-(tetrahydro-2H-pyran-4-yl)hexane-1,4-dione

HRID 1203623Notes

Reaction equation

HRID 1203623 reaction equation
[CH2:55]([n+:56]1[c:57]([CH3:58])[c:59]([CH2:60][CH2:61][OH:62])[s:63][cH:64]1)[c:65]1[cH:66][cH:67][cH:68][cH:69][cH:70]1.[CH3:42][CH2:43][N:44]([CH2:45][CH3:46])[CH2:47][CH3:48].[CH3:71][CH2:72][OH:73].[CH:1]1([S:4](=[O:5])(=[O:6])[c:7]2[c:8]3[cH:9][n:10][n:11]([CH:16]([C:17]([CH:18]=[CH2:19])=[O:20])[CH2:21][CH:22]4[CH2:23][CH2:24][O:25][CH2:26][CH2:27]4)[c:12]3[cH:13][cH:14][cH:15]2)[CH2:2][CH2:3]1.[Cl-:54].[O:49]1[CH2:50][CH2:51][CH2:52][CH2:53]1.[OH:28][CH:29]([C:30]([CH3:31])([CH3:32])[OH:33])[c:34]1[cH:35][cH:36][c:37]([CH:40]=[O:41])[n:38][cH:39]1>>[CH:1]1([S:4](=[O:5])(=[O:6])[c:7]2[c:8]3[cH:9][n:10][n:11]([CH:16]([C:17]([CH2:18][CH2:19][C:40]([c:37]4[cH:36][cH:35][c:34]([CH:29]([OH:28])[C:30]([CH3:31])([CH3:32])[OH:33])[cH:39][n:38]4)=[O:41])=[O:20])[CH2:21][CH:22]4[CH2:23][CH2:24][O:25][CH2:26][CH2:27]4)[c:12]3[cH:13][cH:14][cH:15]2)[CH2:2][CH2:3]1

Participants

8

Reactant 7

HCID 312ChlorideHCID 702EthanolHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 4253053-Benzyl-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-iumHCID 583806064-[4-(cyclopropylsulfonyl)-1H-indazol-1-yl]-5-(tetrahydro-2H-pyran-4-yl)pent-1-en-3-oneHCID 593314885-(1,2-Dihydroxy-2-methylpropyl)pyridine-2-carbaldehyde

Product 1

HCID 583806055-[4-(cyclopropylsulfonyl)-1H-indazol-1-yl]-1-[5-(1,2-dihydroxy-2-methylpropyl)pyridin-2-yl]-6-(tetrahydro-2H-pyran-4-yl)hexane-1,4-dione

Sources & evidence

ORD record
ord-878767dcd10847078f17341873b69e0b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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