Isopropanol → HCID 86756213, compound

HRID 2326433Notes

Reaction equation

HRID 2326433 reaction equation
[CH:38]([OH:39])([CH3:40])[CH3:41].[Cl:24][CH2:25][Cl:26].[O:27]=[Cr:28]([Cl:29])([O-:30])=[O:31].[c:1]1([CH3:23])[cH:2][cH:3][c:4]([C:7]#[C:8][c:9]2[cH:10][cH:11][c:12]([CH:15]3[CH2:16][CH2:17][CH:18]([CH2:21][OH:22])[CH2:19][CH2:20]3)[cH:13][cH:14]2)[cH:5][cH:6]1.[nH+:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1>>[c:1]1([CH3:23])[cH:2][cH:3][c:4]([C:7]#[C:8][c:9]2[cH:10][cH:11][c:12]([CH:15]3[CH2:16][CH2:17][CH:18]([CH:21]=[O:22])[CH2:19][CH2:20]3)[cH:13][cH:14]2)[cH:5][cH:6]1

Participants

6

Reactant 5

HCID 3776IsopropanolHCID 6344DichloromethaneHCID 4989215PyridiniumHCID 70220377HCID 70220377, compoundHCID 178418299HCID 178418299, compound

Product 1

HCID 86756213HCID 86756213, compound

Sources & evidence

ORD record
ord-76a9f94e8d6b43b08bc068db16c45b1a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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