Chloride → HCID 178487370, compound

HRID 2136331Notes

Reaction equation

HRID 2136331 reaction equation
[CH2:39]1[O:40][CH2:41][CH2:42][CH2:43]1.[CH3:44][CH2:45][O:46][C:47](=[O:48])[CH3:49].[Cl-:26].[H-:1].[N:3](=[N+:4]=[N-:5])[CH:6]1[CH2:7][CH:8]([c:15]2[cH:16][nH:17][c:18]3[cH:19][c:20]([O:24][CH3:25])[cH:21][cH:22][c:23]23)[c:9]2[cH:10][cH:11][cH:12][cH:13][c:14]21.[Na+:2].[OH2:38].[c:27]1([CH3:37])[cH:28][cH:29][c:30]([S:33](=[O:34])(=[O:35])[OH:36])[cH:31][cH:32]1>>[N:3](=[N+:4]=[N-:5])[CH:6]1[CH2:7][CH:8]([c:15]2[cH:16][n:17]([S:33]([c:30]3[cH:29][cH:28][c:27]([CH3:37])[cH:32][cH:31]3)(=[O:34])=[O:35])[c:18]3[cH:19][c:20]([O:24][CH3:25])[cH:21][cH:22][c:23]23)[c:9]2[cH:10][cH:11][cH:12][cH:13][c:14]21

Participants

9

Reactant 8

HCID 312ChlorideHCID 923Sodium ionHCID 962WaterHCID 6101p-Toluenesulfonic acidHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 166653HydrideHCID 178487369HCID 178487369, compound

Product 1

HCID 178487370HCID 178487370, compound

Sources & evidence

ORD record
ord-98f34caed0e1470f98e889a91f0c6e99
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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