Bromide ion → HCID 21840360, compound

HRID 180021Notes

Reaction equation

HRID 180021 reaction equation
[Br-:45].[C:1](=[O:2])([O-:3])[O-:4].[C:38]([CH2:39][CH2:40][CH2:41][CH3:42])(=[O:43])[Cl:44].[CH2:46]([N+:47]([CH2:48][CH2:49][CH2:50][CH3:51])([CH2:52][CH2:53][CH2:54][CH3:55])[CH2:56][CH2:57][CH2:58][CH3:59])[CH2:60][CH2:61][CH3:62].[CH2:8]([c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1)[O:15][C:16]([CH:17]([NH:18][CH2:19][c:20]1[cH:21][cH:22][c:23](-[c:26]2[c:27]([C:32]#[N:33])[cH:28][cH:29][cH:30][cH:31]2)[cH:24][cH:25]1)[CH:34]([CH3:35])[CH3:36])=[O:37].[Cl:64][CH2:65][Cl:66].[ClH:7].[K+:5].[K+:6].[OH2:63]>>[CH2:8]([c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1)[O:15][C:16]([CH:17]([N:18]([CH2:19][c:20]1[cH:21][cH:22][c:23](-[c:26]2[c:27]([C:32]#[N:33])[cH:28][cH:29][cH:30][cH:31]2)[cH:24][cH:25]1)[C:38]([CH2:39][CH2:40][CH2:41][CH3:42])=[O:43])[CH:34]([CH3:35])[CH3:36])=[O:37]

Participants

10

Reactant 9

HCID 259Bromide ionHCID 313Hydrochloric AcidHCID 813Potassium Cation2×HCID 962WaterHCID 6344DichloromethaneHCID 16028TetrabutylammoniumHCID 19660Carbonate IonHCID 61186Valeryl chlorideHCID 21840344HCID 21840344, compound

Product 1

HCID 21840360HCID 21840360, compound

Sources & evidence

ORD record
ord-41e46bfc3adb4a89ae77fa7ac8ebf036
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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