Hydrochloric Acid → 7-(4-dimethylaminophenyl)-N-(4-((1-oxophosphorinan-1-yl)methyl)phenyl)-2,3-dihydro-1-benzoxepine-4-carboxamide

HRID 1133112Notes

Reaction equation

HRID 1133112 reaction equation
[CH2:50]([N:51]=[C:52]=[N:53][CH2:54][CH2:55][CH2:56][N:57]([CH3:58])[CH3:59])[CH3:60].[CH3:1][N:2]([c:3]1[cH:4][cH:5][c:6](-[c:9]2[cH:10][cH:11][c:12]3[c:13]([cH:22]2)[CH:14]=[C:15]([C:19](=[O:20])[OH:21])[CH2:16][CH2:17][O:18]3)[cH:7][cH:8]1)[CH3:23].[CH3:61][N:62]([CH3:63])[CH:64]=[O:65].[CH3:66][N:67]([CH3:68])[c:69]1[cH:70][cH:71][n:72][cH:73][cH:74]1.[CH3:75][CH2:76][N:77]([CH2:78][CH3:79])[CH2:80][CH3:81].[ClH:49].[NH2:24][c:25]1[cH:26][cH:27][c:28]([CH2:29][P:30]2(=[O:36])[CH2:31][CH2:32][CH2:33][CH2:34][CH2:35]2)[cH:37][cH:38]1.[OH:39][n:40]1[c:41]2[cH:42][cH:43][cH:44][cH:45][c:46]2[n:47][n:48]1>>[CH3:1][N:2]([c:3]1[cH:4][cH:5][c:6](-[c:9]2[cH:10][cH:11][c:12]3[c:13]([cH:22]2)[CH:14]=[C:15]([C:19](=[O:20])[NH:24][c:25]2[cH:26][cH:27][c:28]([CH2:29][P:30]4(=[O:36])[CH2:31][CH2:32][CH2:33][CH2:34][CH2:35]4)[cH:37][cH:38]2)[CH2:16][CH2:17][O:18]3)[cH:7][cH:8]1)[CH3:23]

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 8471TriethylamineHCID 142844-(Dimethylamino)pyridineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 184725407-(4-Dimethylaminophenyl)-2,3-dihydro-1-benzoxepine-4-carboxylic acidHCID 229899861-(4-Aminobenzyl)phosphorinane-1-oxide

Product 1

HCID 184722457-(4-dimethylaminophenyl)-N-(4-((1-oxophosphorinan-1-yl)methyl)phenyl)-2,3-dihydro-1-benzoxepine-4-carboxamide

Sources & evidence

ORD record
ord-3b4e46a0a77f4bdd8eac16673f1b7945
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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