Hydrochloric Acid → Hydrochloric Acid

HRID 215358Notes

Reaction equation

HRID 215358 reaction equation
[CH3:40][C:41]#[N:42].[ClH:39].[F:1][C:2]1([F:37])[O:3][c:4]2[c:5]([cH:7][cH:8][c:9]([C:11]3([C:14](=[O:15])[NH:16][c:17]4[cH:18][cH:19][c:20]([CH3:36])[c:21](-[c:23]5[c:24]([C:32]([CH3:33])([CH3:34])[CH3:35])[c:25]([C:26](=[O:27])[O-:28])[cH:29][cH:30][cH:31]5)[n:22]4)[CH2:12][CH2:13]3)[cH:10]2)[O:6]1.[OH2:38]>>[ClH:39].[F:1][C:2]1([F:37])[O:3][c:4]2[c:5]([cH:7][cH:8][c:9]([C:11]3([C:14](=[O:15])[NH:16][c:17]4[cH:18][cH:19][c:20]([CH3:36])[c:21](-[c:23]5[cH:24][c:25]([C:26](=[O:27])[OH:28])[cH:29][cH:30][cH:31]5)[n:22]4)[CH2:12][CH2:13]3)[cH:10]2)[O:6]1

Participants

6

Reactant 4

HCID 313Hydrochloric AcidHCID 962WaterHCID 6342AcetonitrileHCID 866321873-(6-(1-(2,2-Difluorobenzo[d][1,3]dioxol-5-yl) cyclopropanecarboxamido)-3-methylpyridin-2-yl)-t-butylbenzoate

Product 2

HCID 313Hydrochloric AcidHCID 16678941Lumacaftor

Sources & evidence

ORD record
ord-25ea640afeb744689f7999b6c092f5b3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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