Chloride → HCID 178459754, compound

HRID 1568040Notes

Reaction equation

HRID 1568040 reaction equation
[CH2:37]([CH:38]=[CH2:39])[O:40][C:41](=[O:42])[N:43]1[CH2:44][CH:45]([O:50][S:51](=[O:52])(=[O:53])[CH3:54])[CH2:46][CH:47]1[CH:48]=[O:49].[CH2:61]1[O:62][CH2:63][CH2:64][CH2:65]1.[CH3:1][C:2]([CH3:3])([O-:4])[CH3:5].[CH3:55][CH2:56][O:57][C:58](=[O:59])[CH3:60].[CH3:66][S:67]([CH3:68])=[O:69].[Cl-:8].[ClH:7].[K+:6].[s:9]1[c:10]2[n:11]([cH:12][c:13]1[CH2:14][P+:15]([c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1)([c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1)[c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1)[cH:34][n:35][cH:36]2>>[s:9]1[c:10]2[n:11]([cH:12][c:13]1[CH:14]=[CH:48][CH:47]1[N:43]([C:41]([O:40][CH2:37][CH:38]=[CH2:39])=[O:42])[CH2:44][CH:45]([O:50][S:51](=[O:52])(=[O:53])[CH3:54])[CH2:46]1)[cH:34][n:35][cH:36]2

Participants

10

Reactant 9

HCID 312ChlorideHCID 313Hydrochloric AcidHCID 679Dimethyl SulfoxideHCID 813Potassium CationHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 45749132-Methylpropan-2-olateHCID 21262376HCID 21262376, compoundHCID 178459769HCID 178459769, compound

Product 1

HCID 178459754HCID 178459754, compound

Sources & evidence

ORD record
ord-1c0b0437c4df4f779029fadcbf8d79c6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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