Hydrochloric Acid → Hydrochloric Acid

HRID 91087Notes

Reaction equation

HRID 91087 reaction equation
[CH3:14][NH:15][CH2:16][c:17]1[cH:18][cH:19][c:20]2[c:21]([cH:22][cH:23][cH:24][cH:25]2)[c:26]1[CH2:27][CH2:28][CH3:29].[CH3:1][NH:2][CH2:3][c:4]1[c:5]([CH3:13])[o:6][c:7]2[c:8]1[cH:9][cH:10][cH:11][cH:12]2.[CH3:58][N:59]1[CH2:60][c:61]2[cH:62][c:63]([CH:64]=[CH:65][C:66]([OH:67])=[O:68])[cH:69][n:70][c:71]2[NH:72][C:73](=[O:74])[CH2:75]1.[ClH:30].[ClH:57].[O:31]1[CH2:32][CH2:33][N:34]([CH2:37][CH2:38][CH2:39][N:40]2[CH2:41][C:42](=[O:56])[NH:43][c:44]3[c:45]([cH:47][c:48]([CH:51]=[CH:52][C:53](=[O:54])[OH:55])[cH:49][n:50]3)[CH2:46]2)[CH2:35][CH2:36]1>>[CH3:1][N:2]([CH2:3][c:4]1[c:5]([CH3:13])[o:6][c:7]2[c:8]1[cH:9][cH:10][cH:11][cH:12]2)[C:53]([CH:52]=[CH:51][c:48]1[cH:47][c:45]2[c:44]([n:50][cH:49]1)[NH:43][C:42](=[O:56])[CH2:41][N:40]([CH2:39][CH2:38][CH2:37][N:34]1[CH2:33][CH2:32][O:31][CH2:36][CH2:35]1)[CH2:46]2)=[O:54].[ClH:30]

Participants

7

Reactant 5

HCID 313Hydrochloric Acid2×HCID 59456959Methyl-(1-propyl-naphthalen-2-ylmethyl)amineHCID 669662013-(4-Methyl-2-oxo-2,3,4,5-tetrahydro-1H-pyrido[2,3-e][1,4]diazepin-7-yl)-acrylic acidHCID 669663853-[4-(3-morpholin-4-ylpropyl)-2-oxo-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-7-yl]prop-2-enoic acidHCID 66967084Methyl(2-methylbenzofuran-3-ylmethyl)amine

Product 2

HCID 313Hydrochloric AcidHCID 66967077N-methyl-N-[(2-methyl-1-benzofuran-3-yl)methyl]-3-[4-(3-morpholin-4-ylpropyl)-2-oxo-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-7-yl]prop-2-enamide

Sources & evidence

ORD record
ord-25dffd796c9e4ac88b82fc62ca4ea19f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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