Acetone → HCID 25185066, compound

HRID 184552Notes

Reaction equation

HRID 184552 reaction equation
[Br:40][CH2:41][CH2:42][CH2:43][CH2:44][CH3:45].[C:34](=[O:35])([O-:36])[O-:37].[CH3:47][C:48](=[O:49])[CH3:50].[Cl:2][c:3]1[cH:4][cH:5][c:6]([S:9](=[O:10])(=[O:11])[N:12]2[CH2:13][CH:14]([C:18](=[O:19])[N:20]3[CH2:21][CH2:22][N:23]([c:26]4[c:27]([CH3:33])[cH:28][cH:29][c:30]([CH3:32])[cH:31]4)[CH2:24][CH2:25]3)[NH:15][CH2:16][CH2:17]2)[cH:7][cH:8]1.[ClH:1].[Cs+:38].[Cs+:39].[OH2:46]>>[Cl:2][c:3]1[cH:4][cH:5][c:6]([S:9](=[O:10])(=[O:11])[N:12]2[CH2:13][CH:14]([C:18](=[O:19])[N:20]3[CH2:21][CH2:22][N:23]([c:26]4[c:27]([CH3:33])[cH:28][cH:29][c:30]([CH3:32])[cH:31]4)[CH2:24][CH2:25]3)[N:15]([CH2:41][CH2:42][CH2:43][CH2:44][CH3:45])[CH2:16][CH2:17]2)[cH:7][cH:8]1

Participants

8

Reactant 7

HCID 180AcetoneHCID 313Hydrochloric AcidHCID 962WaterHCID 80571-BromopentaneHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 68727039HCID 68727039, compound

Product 1

HCID 25185066HCID 25185066, compound

Sources & evidence

ORD record
ord-2e85dfb019de46b3bafbf7c90987e2d2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

Loading…