Hydrochloric Acid → Hydrochloric Acid

HRID 159417Notes

Reaction equation

HRID 159417 reaction equation
[CH3:39][CH2:40][O:41][CH2:42][CH3:43].[CH:1]([CH3:2])([CH3:3])[c:4]1[c:5]([O:31][CH2:32][CH2:33][CH3:34])[c:6]([CH2:7][N:8]([C:9]([CH:10]=[CH:11][c:12]2[cH:13][c:14]3[c:15]([n:24][cH:25]2)[NH:16][C:17](=[O:23])[C:18]([CH3:21])([CH3:22])[NH:19][CH2:20]3)=[O:26])[CH3:27])[cH:28][cH:29][cH:30]1.[Cl:36][CH2:37][Cl:38].[ClH:35]>>[CH:1]([CH3:2])([CH3:3])[c:4]1[c:5]([O:31][CH2:32][CH2:33][CH3:34])[c:6]([CH2:7][N:8]([C:9]([CH:10]=[CH:11][c:12]2[cH:13][c:14]3[c:15]([n:24][cH:25]2)[NH:16][C:17](=[O:23])[CH2:18][NH:19][CH2:20]3)=[O:26])[CH3:27])[cH:28][cH:29][cH:30]1.[ClH:35]

Participants

6

Reactant 4

HCID 313Hydrochloric AcidHCID 3283Diethyl EtherHCID 6344DichloromethaneHCID 669669763-(3,3-dimethyl-2-oxo-4,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-7-yl)-N-methyl-N-[(3-propan-2-yl-2-propoxyphenyl)methyl]prop-2-enamide

Product 2

HCID 313Hydrochloric AcidHCID 66967223N-methyl-3-(2-oxo-1,3,4,5-tetrahydropyrido[2,3-e][1,4]diazepin-7-yl)-N-[(3-propan-2-yl-2-propoxyphenyl)methyl]prop-2-enamide

Sources & evidence

ORD record
ord-9817cb630577491cb8bdff6c96c131dd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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