Chloride → HCID 59331444, compound

HRID 293961Notes

Reaction equation

HRID 293961 reaction equation
[CH2:49]([n+:50]1[c:51]([CH3:52])[c:53]([CH2:54][CH2:55][OH:56])[s:57][cH:58]1)[c:59]1[cH:60][cH:61][cH:62][cH:63][cH:64]1.[CH3:38][CH2:39][N:40]([CH2:41][CH3:42])[CH2:43][CH3:44].[CH3:45][CH2:46][OH:47].[CH3:65][CH2:66][O:67][C:68](=[O:69])[CH3:70].[CH:1]1([S:4](=[O:5])(=[O:6])[c:7]2[cH:8][cH:9][c:10]([CH:13]([C:14]([CH:15]=[CH2:16])=[O:17])[CH2:18][CH:19]3[CH2:20][CH2:21][O:22][CH2:23][CH2:24]3)[cH:11][cH:12]2)[CH2:2][CH2:3]1.[Cl-:48].[O:25]1[CH:26]([c:30]2[cH:31][cH:32][c:33]([CH:36]=[O:37])[n:34][cH:35]2)[O:27][CH2:28][CH2:29]1>>[CH:1]1([S:4](=[O:5])(=[O:6])[c:7]2[cH:8][cH:9][c:10]([CH:13]([C:14]([CH2:15][CH2:16][C:36]([c:33]3[cH:32][cH:31][c:30]([CH:26]4[O:25][CH2:29][CH2:28][O:27]4)[cH:35][n:34]3)=[O:37])=[O:17])[CH2:18][CH:19]3[CH2:20][CH2:21][O:22][CH2:23][CH2:24]3)[cH:11][cH:12]2)[CH2:2][CH2:3]1

Participants

8

Reactant 7

HCID 312ChlorideHCID 702EthanolHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 4253053-Benzyl-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-iumHCID 592551735-(1,3-Dioxolan-2-yl)picolinaldehydeHCID 593312584-[4-(cyclopropylsulfonyl)phenyl]-5-(tetrahydro-2H-pyran-4-yl)pent-1-en-3-one

Product 1

HCID 59331444HCID 59331444, compound

Sources & evidence

ORD record
ord-351eeb062f6940a4b18c08d619804daf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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