Hydrochloric Acid → Hydrochloric Acid

HRID 697436Notes

Reaction equation

HRID 697436 reaction equation
[C:34](=[O:35])([O-:36])[OH:37].[CH2:29]1[O:30][CH2:31][CH2:32][CH2:33]1.[CH2:45]([Cl:46])[Cl:47].[CH3:26][NH:27][CH3:28].[Cl:1][CH2:2][C:3](=[O:4])[NH:5][c:6]1[c:7]2[c:8](=[O:25])[n:9]([CH:17]3[C:18](=[O:24])[NH:19][C:20](=[O:23])[CH2:21][CH2:22]3)[c:10]([CH3:16])[n:11][c:12]2[cH:13][cH:14][cH:15]1.[ClH:39].[Na+:38].[O:40]=[CH:41][N:42]([CH3:43])[CH3:44].[OH2:48]>>[CH2:2]([C:3](=[O:4])[NH:5][c:6]1[c:7]2[c:8](=[O:25])[n:9]([CH:17]3[C:18](=[O:24])[NH:19][C:20](=[O:23])[CH2:21][CH2:22]3)[c:10]([CH3:16])[n:11][c:12]2[cH:13][cH:14][cH:15]1)[N:27]([CH3:26])[CH3:28].[ClH:1]

Participants

11

Reactant 9

HCID 313Hydrochloric AcidHCID 674DimethylamineHCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 8028TetrahydrofuranHCID 249683022-chloro-N-(3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxo-3,4-dihydroquinazolin-5-yl)acetamide

Product 2

HCID 313Hydrochloric AcidHCID 249683012-(dimethylamino)-N-[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]acetamide

Sources & evidence

ORD record
ord-e3dab9e3547b41ebbf11037f77e7ad6e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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