Chloride → HCID 69114589, compound

HRID 1202326Notes

Reaction equation

HRID 1202326 reaction equation
[CH3:53][CH2:54][O:55][C:56](=[O:57])[CH3:58].[CH3:59][CH2:60][CH2:61][CH2:62][CH2:63][CH3:64].[CH3:65][CH2:66][N:67]([CH2:68][CH3:69])[CH2:70][CH3:71].[Cl-:23].[Cl-:39].[Cl:17][C:18]([C:19]([Cl:20])=[O:21])=[O:22].[Cl:1][c:2]1[cH:3][c:4]([O:5][CH:6]([C:7](=[O:8])[OH:9])[CH2:10][O:11][CH3:12])[cH:13][c:14]([Cl:16])[cH:15]1.[Cl:24][c:25]1[cH:26][c:27]([CH:28]([CH2:29][O:30][CH3:31])[C:32]([OH:33])=[O:34])[cH:35][c:36]([Cl:37])[cH:38]1.[Cl:49][CH2:50][Cl:51].[ClH:40].[ClH:48].[NH2:41][C:42]([C:43]#[C:44][CH3:45])([CH3:46])[CH3:47].[OH2:52]>>[Cl:1][c:2]1[cH:3][c:4]([O:5][CH:6]([C:7](=[O:9])[NH:41][C:42]([C:43]#[C:44][CH3:45])([CH3:46])[CH3:47])[CH2:10][O:11][CH3:12])[cH:13][c:14]([Cl:16])[cH:15]1

Participants

12

Reactant 11

HCID 312Chloride2×HCID 313Hydrochloric Acid2×HCID 962WaterHCID 6344DichloromethaneHCID 8058HexaneHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 65578Oxalyl chlorideHCID 114123462-Methylpent-3-yn-2-amineHCID 69114606HCID 69114606, compoundHCID 69114724701915-91-5

Product 1

HCID 69114589HCID 69114589, compound

Sources & evidence

ORD record
ord-b4fbd5583ed946438d632ff6415deea6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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