Ammonium → HCID 178495181, compound

HRID 88286Notes

Reaction equation

HRID 88286 reaction equation
[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH:9]2[CH2:10][CH:11]([CH2:42][C:43]([C:44]([OH:45])=[O:46])([CH3:47])[CH3:48])[N:12]([S:32](=[O:33])(=[O:34])[c:35]3[cH:36][cH:37][c:38]([CH3:41])[cH:39][cH:40]3)[CH2:13][CH:14]2[O:15][CH2:16][c:17]2[cH:18][cH:19][c:20]3[c:21]([cH:31]2)[N:22]([CH2:26][CH2:27][CH2:28][O:29][CH3:30])[CH2:23][CH2:24][O:25]3)[cH:7][cH:8]1.[CH3:51][CH2:52][N:53]([CH2:54][CH3:55])[CH2:56][CH3:57].[CH3:63][CH2:64][O:65][C:66](=[O:67])[CH3:68].[Cl-:49].[NH4+:50].[O:58]1[CH2:59][CH2:60][CH2:61][CH2:62]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH:9]2[CH2:10][CH:11]([CH2:42][C:43]([C:44]#[N:53])([CH3:47])[CH3:48])[N:12]([S:32](=[O:33])(=[O:34])[c:35]3[cH:36][cH:37][c:38]([CH3:41])[cH:39][cH:40]3)[CH2:13][CH:14]2[O:15][CH2:16][c:17]2[cH:18][cH:19][c:20]3[c:21]([cH:31]2)[N:22]([CH2:26][CH2:27][CH2:28][O:29][CH3:30])[CH2:23][CH2:24][O:25]3)[cH:7][cH:8]1

Participants

7

Reactant 6

HCID 223AmmoniumHCID 312ChlorideHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 178495191HCID 178495191, compound

Product 1

HCID 178495181HCID 178495181, compound

Sources & evidence

ORD record
ord-455213cacfad4159b36f734a3ce42d1c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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