Hydrochloric Acid → 6-{2-{Ethyl[4-(2-piperidin-1-ylethoxy)benzyl]amino}-4-methoxyphenyl}-6,7,8,9-tetrahydro-5H-benzocyclohepten-2-ol

HRID 98778Notes

Reaction equation

HRID 98778 reaction equation
[C:1]([Si:2]([CH3:3])([CH3:4])[O:5][c:6]1[cH:7][cH:8][c:9]2[c:26]([cH:27]1)[CH2:25][CH2:24][CH2:23][CH:11]([c:12]1[cH:13][cH:14][c:15]([O:16][CH3:17])[cH:18][c:19]1[CH2:20][CH2:21][NH2:22])[CH2:10]2)([CH3:28])([CH3:29])[CH3:30].[C:50]([Si:51]([CH3:52])([CH3:53])[O:55][c:56]1[cH:57][cH:58][c:59]2[c:60]([cH:93]1)[CH2:61][CH2:62][CH2:63][CH:64]([c:66]1[c:67]([N:74]([CH2:75][c:76]3[cH:77][cH:78][c:79]([O:82][CH2:83][CH2:84][N:85]4[CH2:86][CH2:87][CH2:88][CH2:89][CH2:90]4)[cH:80][cH:81]3)[CH2:91][CH3:92])[cH:68][c:69]([O:72][CH3:73])[cH:70][cH:71]1)[CH2:65]2)([CH3:54])([CH3:94])[CH3:95].[ClH:31].[N:32]1([CH2:33][CH2:34][O:35][c:36]2[cH:37][cH:38][c:39]([C:40]([OH:41])=[O:42])[cH:43][cH:44]2)[CH2:45][CH2:46][CH2:47][CH2:48][CH2:49]1>>[OH:55][c:56]1[cH:57][cH:58][c:59]2[c:60]([cH:93]1)[CH2:61][CH2:62][CH2:63][CH:64]([c:66]1[c:67]([N:74]([CH2:75][c:76]3[cH:77][cH:78][c:79]([O:82][CH2:83][CH2:84][N:85]4[CH2:86][CH2:87][CH2:88][CH2:89][CH2:90]4)[cH:80][cH:81]3)[CH2:91][CH3:92])[cH:68][c:69]([O:72][CH3:73])[cH:70][cH:71]1)[CH2:65]2

Participants

5

Reactant 4

HCID 313Hydrochloric AcidHCID 57438364-(2-Piperidin-1-yl-ethoxy)-benzoic acidHCID 66626261{2-[2-(tert-butyldimethylsilyloxy)-6,7,8,9-tetrahydro-5H-benzocyclohepten-6-yl]-5-methoxyphenyl}ethyl[4-(2-piperidin-1-ylethoxy)benzyl]amineHCID 66626847{2-[2-(tert-Butyldimethylsilyloxy)-6,7,8,9-tetrahydro-5H-benzocyclohepten-6-yl]-5-methoxyphenyl}ethylamine

Product 1

HCID 579340476-{2-{Ethyl[4-(2-piperidin-1-ylethoxy)benzyl]amino}-4-methoxyphenyl}-6,7,8,9-tetrahydro-5H-benzocyclohepten-2-ol

Sources & evidence

ORD record
ord-d746862e9a7249ba888af464208999d4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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