Chloride → HCID 10163496, compound

HRID 177675Notes

Reaction equation

HRID 177675 reaction equation
[CH2:1]([O:2][C:3](=[O:4])[CH:5]([C:6]#[N:7])[c:8]1[n:9][cH:10][c:11]([C:21]([N:22]([CH3:23])[CH2:24][c:25]2[cH:26][c:27]([C:35]([F:36])([F:37])[F:38])[cH:28][c:29]([C:31]([F:32])([F:33])[F:34])[cH:30]2)=[O:39])[c:12](-[c:14]2[c:15]([CH3:20])[cH:16][cH:17][cH:18][cH:19]2)[cH:13]1)[CH3:40].[CH3:43][S:44](=[O:45])[CH3:46].[Cl-:42].[Li+:41]>>[CH2:5]([C:6]#[N:7])[c:8]1[n:9][cH:10][c:11]([C:21]([N:22]([CH3:23])[CH2:24][c:25]2[cH:26][c:27]([C:35]([F:36])([F:37])[F:38])[cH:28][c:29]([C:31]([F:32])([F:33])[F:34])[cH:30]2)=[O:39])[c:12](-[c:14]2[c:15]([CH3:20])[cH:16][cH:17][cH:18][cH:19]2)[cH:13]1

Participants

5

Reactant 4

HCID 312ChlorideHCID 679Dimethyl SulfoxideHCID 28486Lithium ionHCID 86584820HCID 86584820, compound

Product 1

HCID 10163496HCID 10163496, compound

Sources & evidence

ORD record
ord-4bd8d15712734ee1b2a659e583cb66c4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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