Chloride → HCID 178467310, compound

HRID 211201Notes

Reaction equation

HRID 211201 reaction equation
[C:36]([C:37]([CH3:38])([CH3:39])[CH3:40])(=[O:41])[O:42][CH2:43][Cl:44].[CH2:57]([N+:58]([CH2:59][CH3:60])([CH2:61][CH3:62])[CH2:63][CH3:64])[c:65]1[cH:66][cH:67][cH:68][cH:69][cH:70]1.[CH3:45][CH2:46][O:47][C:48](=[O:49])[CH3:50].[CH3:51][N:52]([CH3:53])[CH:54]=[O:55].[CH:27]([N:28]([CH2:29][CH3:30])[CH:31]([CH3:32])[CH3:33])([CH3:34])[CH3:35].[Cl-:56].[NH2:1][C:2](=[O:3])[O:4][CH2:5][c:6]1[cH:7][cH:8][c:9]([C:12]2=[C:13]([C:23](=[O:24])[O-:25])[N:14]3[C:15](=[O:22])[CH:16]([CH:19]([CH3:20])[OH:21])[CH:17]3[CH2:18]2)[cH:10][cH:11]1.[Na+:26].[OH2:71]>>[NH2:1][C:2](=[O:3])[O:4][CH2:5][c:6]1[cH:7][cH:8][c:9]([C:12]2=[C:13]([C:23](=[O:24])[O:25][CH2:43][O:42][C:36]([C:37]([CH3:38])([CH3:39])[CH3:40])=[O:41])[N:14]3[C:15](=[O:22])[CH:16]([CH:19]([CH3:20])[OH:21])[CH:17]3[CH2:18]2)[cH:10][cH:11]1

Participants

10

Reactant 9

HCID 312ChlorideHCID 923Sodium ionHCID 962WaterHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 17208BenzyltriethylammoniumHCID 81531DiisopropylethylamineHCID 87885Chloromethyl pivalateHCID 178467294HCID 178467294, compound

Product 1

HCID 178467310HCID 178467310, compound

Sources & evidence

ORD record
ord-c857dcafc8414e14bcea004d57099106
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

Loading…