Chloride → HCID 10142538, compound

HRID 1224736Notes

Reaction equation

HRID 1224736 reaction equation
[C:47](=[O:48])([O-:49])[O-:50].[CH3:62][CH2:63][O:64][C:65](=[O:66])[CH3:67].[CH:3]1([NH:8][c:9]2[c:10]([C:37](=[O:38])[OH:39])[cH:11][cH:12][c:13]3[n:14]2[n:15][c:16](-[c:30]2[cH:31][cH:32][c:33]([F:36])[cH:34][cH:35]2)[c:17]3-[c:18]2[n:19][c:20]([NH:24][CH:25]3[CH2:26][CH2:27][CH2:28][CH2:29]3)[n:21][cH:22][cH:23]2)[CH2:4][CH2:5][CH2:6][CH2:7]1.[Cl-:53].[Cl:59][CH2:60][Cl:61].[ClH:1].[ClH:2].[ClH:44].[K+:51].[K+:52].[NH2:45][OH:46].[O:54]1[CH2:55][CH2:56][CH2:57][CH2:58]1.[S:40]([Cl:41])([Cl:42])=[O:43]>>[CH:3]1([NH:8][c:9]2[c:10]([C:37](=[O:39])[NH:45][OH:46])[cH:11][cH:12][c:13]3[n:14]2[n:15][c:16](-[c:30]2[cH:31][cH:32][c:33]([F:36])[cH:34][cH:35]2)[c:17]3-[c:18]2[n:19][c:20]([NH:24][CH:25]3[CH2:26][CH2:27][CH2:28][CH2:29]3)[n:21][cH:22][cH:23]2)[CH2:4][CH2:5][CH2:6][CH2:7]1

Participants

11

Reactant 10

HCID 312ChlorideHCID 313Hydrochloric Acid3×HCID 787HydroxylamineHCID 813Potassium Cation2×HCID 6344DichloromethaneHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 24386Thionyl ChlorideHCID 10141747HCID 10141747, compound

Product 1

HCID 10142538HCID 10142538, compound

Sources & evidence

ORD record
ord-0fd638b004cf4bb592f83cdcd1929af8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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