Hydrochloric Acid → Hydrochloric Acid

HRID 2316045Notes

Reaction equation

HRID 2316045 reaction equation
[CH3:22][N:23]1[CH2:24][c:25]2[cH:26][c:27]([CH:28]=[CH:29][C:30]([OH:31])=[O:32])[cH:33][n:34][c:35]2[NH:36][C:37](=[O:38])[CH2:39]1.[CH3:40][NH:41][CH2:42][c:43]1[cH:44][cH:45][c:46]([CH3:53])[c:47]2[cH:48][cH:49][cH:50][cH:51][c:52]12.[CH3:54][NH:55][CH2:56][c:57]1[cH:58][cH:59][c:60]2[c:61]([cH:62][cH:63][cH:64][cH:65]2)[c:66]1[CH2:67][CH2:68][CH3:69].[ClH:1].[ClH:21].[NH2:2][c:3]1[c:4]([CH2:14][N:15]2[CH2:16][CH2:17][O:18][CH2:19][CH2:20]2)[cH:5][c:6]([CH:9]=[CH:10][C:11](=[O:12])[OH:13])[cH:7][n:8]1>>[ClH:1].[NH2:2][c:3]1[c:4]([CH2:14][N:15]2[CH2:16][CH2:17][O:18][CH2:19][CH2:20]2)[cH:5][c:6]([CH:9]=[CH:10][C:11](=[O:13])[N:41]([CH3:40])[CH2:42][c:43]2[cH:44][cH:45][c:46]([CH3:53])[c:47]3[cH:48][cH:49][cH:50][cH:51][c:52]23)[cH:7][n:8]1

Participants

7

Reactant 5

HCID 313Hydrochloric Acid2×HCID 59456959Methyl-(1-propyl-naphthalen-2-ylmethyl)amineHCID 64430424Methyl((4-methylnaphthalen-1-yl)methyl)amineHCID 669662013-(4-Methyl-2-oxo-2,3,4,5-tetrahydro-1H-pyrido[2,3-e][1,4]diazepin-7-yl)-acrylic acidHCID 669662953-[6-Amino-5-(morpholin-4-ylmethyl)-3-pyridinyl]prop-2-enoic acid

Product 2

HCID 313Hydrochloric AcidHCID 669673473-[6-amino-5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-methyl-N-[(4-methylnaphthalen-1-yl)methyl]prop-2-enamide

Sources & evidence

ORD record
ord-91eb9743d80446ee937fa62383789d7a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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