Hydrochloric Acid → HCID 69075160, compound

HRID 90283Notes

Reaction equation

HRID 90283 reaction equation
[CH2:35]([O:36][C:37](=[O:38])[C:39]([CH3:40])=[CH:41][CH:42]1[CH2:43][CH:44]=[C:45]([C:46]#[C:47][c:48]2[cH:49][c:50]([O:51][CH3:52])[c:53]3[c:65]([cH:66]2)[C:62]([CH3:63])([CH3:64])[CH2:61][CH2:60][CH:54]3[N:55]([CH:56]2[CH2:57][CH2:58]2)[CH3:59])[CH:67]=[CH:68]1)[CH3:69].[CH3:1][O:2][C:3]([C:4](=[CH:5][CH:6]1[CH:7]=[CH:8][C:9]([C:12]#[C:13][c:14]2[cH:15][c:16]3[c:21]([c:22]([O:24][CH3:25])[cH:23]2)[CH:20]([N:26]([CH3:27])[CH:28]2[CH2:29][CH2:30]2)[CH2:19][CH2:18][C:17]3([CH3:31])[CH3:32])=[CH:10][CH2:11]1)[CH3:33])=[O:34].[CH3:73][OH:74].[ClH:72].[K+:71].[O:75]1[CH2:76][CH2:77][CH2:78][CH2:79]1.[OH-:70]>>[O:2]=[C:3]([C:4](=[CH:5][CH:6]1[CH:7]=[CH:8][C:9]([C:12]#[C:13][c:14]2[cH:15][c:16]3[c:21]([c:22]([O:24][CH3:25])[cH:23]2)[CH:20]([N:26]([CH3:27])[CH:28]2[CH2:29][CH2:30]2)[CH2:19][CH2:18][C:17]3([CH3:31])[CH3:32])=[CH:10][CH2:11]1)[CH3:33])[OH:34]

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 813Potassium CationHCID 887MethanolHCID 961HydroxideHCID 8028TetrahydrofuranHCID 69073173HCID 69073173, compoundHCID 69075752methyl 3-[4-[2-[5-[cyclopropyl(methyl)amino]-4-methoxy-8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-yl]ethynyl]cyclohexa-2,4-dien-1-yl]-2-methylprop-2-enoate

Product 1

HCID 69075160HCID 69075160, compound

Sources & evidence

ORD record
ord-abad6dd3394e4e3ca82b03d0f02bf00d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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