Bicarbonate Ion → 1-Bromo-4-(1-isocyanatoethyl)benzene

HRID 2134557Notes

Reaction equation

HRID 2134557 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([CH3:9])[NH2:10])[cH:6][cH:7]1.[CH2:28]([Cl:29])[Cl:30].[Cl:16][C:17]([Cl:18])([O:19][C:20](=[O:21])[O:22][C:23]([Cl:24])([Cl:25])[Cl:26])[Cl:27].[Na+:15].[O-:11][C:12]([OH:13])=[O:14]>>[Br:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([CH3:9])[N:10]=[C:12]=[O:11])[cH:6][cH:7]1

Participants

6

Reactant 5

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6344DichloromethaneHCID 911751-(4-Bromophenyl)ethylamineHCID 94429Triphosgene

Product 1

HCID 6109831-Bromo-4-(1-isocyanatoethyl)benzene

Sources & evidence

ORD record
ord-2e4d723e0d6d4b2ab8b7b4fdbb1206bb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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