Chloride → HCID 178421035, compound

HRID 1138167Notes

Reaction equation

HRID 1138167 reaction equation
[CH3:24][S:25]([OH:26])(=[O:27])=[O:28].[Cl-:23].[OH:1][C:2]12[CH:3]([OH:22])[CH2:4][CH:5]3[CH:6]4[CH2:7][CH:8]=[C:9]([Br:21])[C:10]4([CH3:11])[CH2:12][CH2:13][CH:14]3[C:15]1([CH3:20])[CH2:16][CH:17]=[CH:18][CH2:19]2.[OH:29][C:30]12[CH2:31][CH:32]=[CH:33][CH2:34][C:35]1([CH3:36])[CH:37]1[CH:38]([CH:39]3[C:40]([CH3:43])([CH2:41][CH2:42]1)[C:44]([Br:45])=[CH:46][CH2:47]3)[CH2:48][CH:49]2[Cl:50]>>[C:2]123[CH:3]([CH2:4][CH:5]4[CH:6]5[CH2:7][CH:8]=[C:9]([Br:21])[C:10]5([CH3:11])[CH2:12][CH2:13][CH:14]4[C:15]1([CH3:20])[CH2:16][CH:17]=[CH:18][CH2:19]2)[O:22]3

Participants

5

Reactant 4

HCID 312ChlorideHCID 6395Methanesulfonic AcidHCID 178421131HCID 178421131, compoundHCID 178421155HCID 178421155, compound

Product 1

HCID 178421035HCID 178421035, compound

Sources & evidence

ORD record
ord-d64be3ea8aad477b9e6908600f9170de
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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