Hydrochloric Acid → N-(4-(N-cyclohexyl-N-methylaminomethyl)phenyl)-7-(4-methylphenyl)-2,3-dihydro-1-benzoxepine-4-carboxamide

HRID 2332442Notes

Reaction equation

HRID 2332442 reaction equation
[CH2:49]([N:50]=[C:51]=[N:52][CH2:53][CH2:54][CH2:55][N:56]([CH3:57])[CH3:58])[CH3:59].[CH3:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][cH:10][c:11]3[c:12]([cH:21]2)[CH:13]=[C:14]([C:18](=[O:19])[OH:20])[CH2:15][CH2:16][O:17]3)[cH:6][cH:7]1.[CH3:60][N:61]([CH3:62])[CH:63]=[O:64].[CH3:65][N:66]([CH3:67])[c:68]1[cH:69][cH:70][n:71][cH:72][cH:73]1.[CH3:75][CH2:76][N:77]([CH2:78][CH3:79])[CH2:80][CH3:81].[CH:22]1([N:28]([CH3:29])[CH2:30][c:31]2[cH:32][cH:33][c:34]([NH2:35])[cH:36][cH:37]2)[CH2:23][CH2:24][CH2:25][CH2:26][CH2:27]1.[ClH:48].[OH2:74].[OH:38][n:39]1[c:40]2[cH:41][cH:42][cH:43][cH:44][c:45]2[n:46][n:47]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][cH:10][c:11]3[c:12]([cH:21]2)[CH:13]=[C:14]([C:18](=[O:19])[NH:35][c:34]2[cH:33][cH:32][c:31]([CH2:30][N:28]([CH:22]4[CH2:23][CH2:24][CH2:25][CH2:26][CH2:27]4)[CH3:29])[cH:37][cH:36]2)[CH2:15][CH2:16][O:17]3)[cH:6][cH:7]1

Participants

10

Reactant 9

HCID 313Hydrochloric AcidHCID 962WaterHCID 6228DimethylformamideHCID 8471TriethylamineHCID 142844-(Dimethylamino)pyridineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 105646997-(4-Methylphenyl)-2,3-dihydrobenzooxepine-4-carboxylic acidHCID 167889854-(N-cyclohexyl-N-methylaminomethyl)aniline

Product 1

HCID 15546401N-(4-(N-cyclohexyl-N-methylaminomethyl)phenyl)-7-(4-methylphenyl)-2,3-dihydro-1-benzoxepine-4-carboxamide

Sources & evidence

ORD record
ord-3a7c1bf7751c421bbe10197c7768ddd0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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