Hydrochloric Acid → trans-3-(4-methylphenyl)-N-[4-[N-methyl-N-(tetrahydropyran-4-yl)aminomethyl]cyclohexyl]-2H-1-benzopyran-6-carboxamide

HRID 309636Notes

Reaction equation

HRID 309636 reaction equation
[CH2:32]([N:33]=[C:34]=[N:35][CH2:36][CH2:37][CH2:38][N:39]([CH3:40])[CH3:41])[CH3:42].[CH2:61]1[CH2:62][CH2:63][C:64]2=[N:69][CH2:68][CH2:67][CH2:66][N:65]2[CH2:70][CH2:71]1.[CH3:1][c:2]1[cH:3][cH:4][c:5]([C:8]2=[CH:13][c:12]3[c:11]([cH:17][cH:16][c:15]([C:18](=[O:19])[OH:20])[cH:14]3)[O:10][CH2:9]2)[cH:6][cH:7]1.[CH3:45][N:46]([CH:47]1[CH2:48][CH2:49][O:50][CH2:51][CH2:52]1)[CH2:53][CH:54]1[CH2:55][CH2:56][CH:57]([NH2:60])[CH2:58][CH2:59]1.[CH3:72][C:73]#[N:74].[CH3:75][CH2:76][N:77]([CH2:78][CH3:79])[CH2:80][CH3:81].[ClH:31].[ClH:43].[ClH:44].[OH:21][n:22]1[c:23]2[cH:24][cH:25][cH:26][cH:27][c:28]2[n:29][n:30]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([C:8]2=[CH:13][c:12]3[c:11]([cH:17][cH:16][c:15]([C:18](=[O:19])[NH:60][CH:57]4[CH2:56][CH2:55][CH:54]([CH2:53][N:46]([CH3:45])[CH:47]5[CH2:48][CH2:49][O:50][CH2:51][CH2:52]5)[CH2:59][CH2:58]4)[cH:14]3)[O:10][CH2:9]2)[cH:6][cH:7]1

Participants

9

Reactant 8

HCID 313Hydrochloric Acid3×HCID 6342AcetonitrileHCID 8471TriethylamineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 811841,8-Diazabicyclo(5.4.0)undec-7-eneHCID 22990051N-[(4-aminocyclohexyl)methyl]-N-methyloxan-4-amineHCID 229901283-(4-methylphenyl)-2H-1-benzopyran-6-carboxylic acid

Product 1

HCID 21362823trans-3-(4-methylphenyl)-N-[4-[N-methyl-N-(tetrahydropyran-4-yl)aminomethyl]cyclohexyl]-2H-1-benzopyran-6-carboxamide

Sources & evidence

ORD record
ord-ed835731cc44496f8b26461582487297
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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