Hydrochloric Acid → Hydrochloric Acid

HRID 2315978Notes

Reaction equation

HRID 2315978 reaction equation
[CH3:16][NH:17][CH2:18][c:19]1[cH:20][cH:21][c:22]2[c:23]([cH:24][cH:25][cH:26][cH:27]2)[c:28]1[CH2:29][CH2:30][CH3:31].[CH3:60][N:61]1[CH2:62][c:63]2[cH:64][c:65]([CH:66]=[CH:67][C:68]([OH:69])=[O:70])[cH:71][n:72][c:73]2[NH:74][C:75](=[O:76])[CH2:77]1.[CH:1]([CH3:2])([CH3:3])[O:4][c:5]1[c:6]([CH2:7][CH2:8][NH2:9])[cH:10][cH:11][cH:12][c:13]1[O:14][CH3:15].[ClH:32].[ClH:59].[O:33]1[CH2:34][CH2:35][N:36]([CH2:39][CH2:40][CH2:41][N:42]2[CH2:43][C:44](=[O:58])[NH:45][c:46]3[c:47]([cH:49][c:50]([CH:53]=[CH:54][C:55](=[O:56])[OH:57])[cH:51][n:52]3)[CH2:48]2)[CH2:37][CH2:38]1>>[CH:1]([CH3:2])([CH3:3])[O:4][c:5]1[c:6]([CH2:7][N:17]([CH3:16])[C:55]([CH:54]=[CH:53][c:50]2[cH:49][c:47]3[c:46]([n:52][cH:51]2)[NH:45][C:44](=[O:58])[CH2:43][N:42]([CH2:41][CH2:40][CH2:39][N:36]2[CH2:35][CH2:34][O:33][CH2:38][CH2:37]2)[CH2:48]3)=[O:56])[cH:10][cH:11][cH:12][c:13]1[O:14][CH3:15].[ClH:32]

Participants

7

Reactant 5

HCID 313Hydrochloric Acid2×HCID 12176049(2-Isopropoxy-3-methoxy-benzyl)methylamineHCID 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 acid

Product 2

HCID 313Hydrochloric AcidHCID 66966246N-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]-N-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-5de82e561b514a56bf0ce138e03eeac9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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