Hydrochloric Acid → HCID 178465115, compound

HRID 119012Notes

Reaction equation

HRID 119012 reaction equation
[CH2:55]1[O:56][CH2:57][CH2:58][CH2:59]1.[CH3:46][CH2:47][O:48][C:49](=[O:50])[CH3:51].[CH3:53][OH:54].[ClH:52].[Li+:44].[O:1]1[CH2:2][O:3][CH2:4][c:5]2[c:6]1[cH:7][c:8]([CH:11]([CH:12]([CH3:13])[NH:14][C:15]([C:16]([CH3:17])([F:18])[F:19])=[O:20])[O:21][c:22]1[cH:23][c:24]3[cH:25][n:26][n:27](-[c:31]4[cH:32][c:33]([C:34](=[O:35])[O:36][CH2:37][CH:38]([CH3:39])[CH3:40])[cH:41][cH:42][cH:43]4)[c:28]3[cH:29][cH:30]1)[cH:9][cH:10]2.[OH-:45].[OH2:60]>>[O:1]1[CH2:2][O:3][CH2:4][c:5]2[c:6]1[cH:7][c:8]([CH:11]([CH:12]([CH3:13])[NH:14][C:15]([C:16]([CH3:17])([F:18])[F:19])=[O:20])[O:21][c:22]1[cH:23][c:24]3[cH:25][n:26][n:27](-[c:31]4[cH:32][c:33]([C:34](=[O:35])[OH:36])[cH:41][cH:42][cH:43]4)[c:28]3[cH:29][cH:30]1)[cH:9][cH:10]2

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 887MethanolHCID 961HydroxideHCID 962WaterHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 28486Lithium ionHCID 722671582-methylpropyl 3-[5-[1-(4H-1,3-benzodioxin-7-yl)-2-(2,2-difluoropropanoylamino)propoxy]indazol-1-yl]benzoate

Product 1

HCID 178465115HCID 178465115, compound

Sources & evidence

ORD record
ord-6b2bd3275e654bbd81301dc34ac9d5f1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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