Hydrochloric Acid → HCID 178442302, compound

HRID 1141598Notes

Reaction equation

HRID 1141598 reaction equation
[CH2:51]1[O:52][CH2:53][CH2:54][CH2:55]1.[CH3:57][CH2:58][O:59][C:60]([CH3:61])=[O:62].[Cl:1][c:2]1[c:3]([F:46])[c:4]([CH:8]2[CH:9]([C:28](=[O:29])[NH:30][c:31]3[cH:32][cH:33][c:34]([N:37]4[CH:38]([C:42](=[O:43])[O:44][CH3:45])[CH2:39][CH2:40][CH2:41]4)[cH:35][cH:36]3)[NH:10][CH:11]([CH2:23][C:24]([CH3:25])([CH3:26])[CH3:27])[C:12]2([C:13]#[N:14])[c:15]2[c:16]([F:22])[cH:17][c:18]([Cl:21])[cH:19][cH:20]2)[cH:5][cH:6][cH:7]1.[ClH:50].[Li+:49].[OH-:48].[OH2:47].[OH2:56]>>[Cl:1][c:2]1[c:3]([F:46])[c:4]([CH:8]2[CH:9]([C:28](=[O:29])[NH:30][c:31]3[cH:32][cH:33][c:34]([N:37]4[CH:38]([C:42](=[O:43])[OH:44])[CH2:39][CH2:40][CH2:41]4)[cH:35][cH:36]3)[NH:10][CH:11]([CH2:23][C:24]([CH3:25])([CH3:26])[CH3:27])[C:12]2([C:13]#[N:14])[c:15]2[c:16]([F:22])[cH:17][c:18]([Cl:21])[cH:19][cH:20]2)[cH:5][cH:6][cH:7]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 961HydroxideHCID 962Water2×HCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 28486Lithium ionHCID 178498052HCID 178498052, compound

Product 1

HCID 178442302HCID 178442302, compound

Sources & evidence

ORD record
ord-a59961c0ee3043bbb713982634b16c65
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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