Chloride → HCID 9909936, compound

HRID 2336487Notes

Reaction equation

HRID 2336487 reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH:8]1[CH:9]([C:26](=[O:27])[OH:28])[N:10]([S:15](=[O:16])(=[O:17])[c:18]2[cH:19][cH:20][c:21]([O:24][CH3:25])[cH:22][cH:23]2)[CH2:11][CH2:12][CH2:13][CH2:14]1.[CH2:47]([Cl:48])[Cl:49].[CH3:38][CH2:39][N:40]([CH2:41][CH3:42])[CH2:43][CH3:44].[CH3:50][CH2:51][O:52][C:53](=[O:54])[CH3:55].[CH3:62][N:63]([CH3:64])[CH:65]=[O:66].[Cl-:45].[Cl:29][C:30]([C:31]([Cl:32])=[O:33])=[O:34].[ClH:35].[ClH:46].[NH2:36][OH:37].[O:57]1[CH2:58][CH2:59][CH2:60][CH2:61]1.[OH2:56]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH:8]1[CH:9]([C:26](=[O:28])[NH:36][OH:37])[N:10]([S:15](=[O:16])(=[O:17])[c:18]2[cH:19][cH:20][c:21]([O:24][CH3:25])[cH:22][cH:23]2)[CH2:11][CH2:12][CH2:13][CH2:14]1

Participants

12

Reactant 11

HCID 312ChlorideHCID 313Hydrochloric Acid2×HCID 787HydroxylamineHCID 962WaterHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 65578Oxalyl chlorideHCID 18689634HCID 18689634, compound

Product 1

HCID 9909936HCID 9909936, compound

Sources & evidence

ORD record
ord-6be2904e1635456da1f60bfe3ef6b875
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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