Hydrochloric Acid → HCID 178505586, compound

HRID 2130828Notes

Reaction equation

HRID 2130828 reaction equation
[CH3:56][CH2:57][O:58][C:59](=[O:60])[CH3:61].[CH3:62][OH:63].[ClH:47].[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][n:10]([C:28]([c:29]3[cH:30][cH:31][cH:32][cH:33][cH:34]3)([c:35]3[cH:36][cH:37][cH:38][cH:39][cH:40]3)[c:41]3[cH:42][cH:43][cH:44][cH:45][cH:46]3)[cH:11][c:12]2-[c:13]2[cH:14][cH:15][c:16]3[n:17]([cH:18]2)[c:19](-[c:22]2[n:23][cH:24][cH:25][cH:26][cH:27]2)[cH:20][n:21]3)[cH:6][cH:7]1.[Na+:54].[O:48]1[CH2:49][CH2:50][CH2:51][CH2:52]1.[OH-:53].[OH2:55]>>[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][nH:10][cH:11][c:12]2-[c:13]2[cH:14][cH:15][c:16]3[n:17]([cH:18]2)[c:19](-[c:22]2[n:23][cH:24][cH:25][cH:26][cH:27]2)[cH:20][n:21]3)[cH:6][cH:7]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 887MethanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 22032558HCID 22032558, compound

Product 1

HCID 178505586HCID 178505586, compound

Sources & evidence

ORD record
ord-75495e05f81b4f5b80eae51fa3c34c58
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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