Hydrochloric Acid → Hydrochloric Acid

HRID 154012Notes

Reaction equation

HRID 154012 reaction equation
[CH3:23][N:24]1[CH2:25][c:26]2[cH:27][c:28]([CH:29]=[CH:30][C:31]([OH:32])=[O:33])[cH:34][n:35][c:36]2[NH:37][C:38](=[O:39])[CH2:40]1.[CH3:41][NH:42][CH2:43][c:44]1[cH:45][cH:46][c:47]([CH3:54])[c:48]2[cH:49][cH:50][cH:51][cH:52][c:53]12.[CH3:55][NH:56][CH2:57][c:58]1[cH:59][cH:60][c:61]2[c:62]([cH:63][cH:64][cH:65][cH:66]2)[c:67]1[CH2:68][CH2:69][CH3:70].[ClH:1].[ClH:22].[NH2:2][c:3]1[c:4]([CH2:14][N:15]2[CH2:16][CH2:17][N:18]([CH3:21])[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][N:18]([CH3:21])[CH2:19][CH2:20]2)[cH:5][c:6]([CH:9]=[CH:10][C:11](=[O:13])[N:42]([CH3:41])[CH2:43][c:44]2[cH:45][cH:46][c:47]([CH3:54])[c:48]3[cH:49][cH:50][cH:51][cH:52][c:53]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 669671613-[6-Amino-5-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]prop-2-enoic acid

Product 2

HCID 313Hydrochloric AcidHCID 669662353-[6-amino-5-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-N-methyl-N-[(4-methylnaphthalen-1-yl)methyl]prop-2-enamide

Sources & evidence

ORD record
ord-8b931ebb209a4d8485c783f5474af888
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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