Hydrochloric Acid → Hydrochloric Acid

HRID 686666Notes

Reaction equation

HRID 686666 reaction equation
[C:66]([O:67][CH2:68][CH3:69])(=[O:70])[CH3:71].[C:73]([O:74][CH3:75])([CH3:76])([CH3:77])[CH3:78].[Cl:63][CH2:64][Cl:65].[ClH:72].[NH2:1][C:2]([c:3]1[cH:4][cH:5][c:6]([NH:9][CH:10]([c:11]2[c:12]([F:31])[c:13]([O:14][CH2:15][CH2:16][O:17][C:18](=[O:19])[c:20]3[cH:21][cH:22][n:23][cH:24][cH:25]3)[cH:26][c:27]([O:29][CH3:30])[cH:28]2)[c:32]2[n:33][n:34](-[c:48]3[n:49][cH:50][cH:51][cH:52][n:53]3)[c:35]([O:37][CH2:38][O:39][C:40]([C:41]([CH2:42][O:43][CH3:44])([CH3:45])[CH3:46])=[O:47])[n:36]2)[cH:7][cH:8]1)=[N:54][C:55]([c:56]1[cH:57][cH:58][cH:59][cH:60][cH:61]1)=[O:62]>>[ClH:63].[NH2:1][C:2]([c:3]1[cH:4][cH:5][c:6]([NH:9][CH:10]([c:11]2[c:12]([F:31])[c:13]([O:14][CH2:15][CH2:16][O:17][C:18](=[O:19])[c:20]3[cH:21][cH:22][n:23][cH:24][cH:25]3)[cH:26][c:27]([O:29][CH3:30])[cH:28]2)[c:32]2[n:33][n:34](-[c:48]3[n:49][cH:50][cH:51][cH:52][n:53]3)[c:35]([O:37][CH2:38][O:39][C:40]([C:41]([CH2:42][O:43][CH3:44])([CH3:45])[CH3:46])=[O:47])[n:36]2)[cH:7][cH:8]1)=[N:54][C:55]([c:56]1[cH:57][cH:58][cH:59][cH:60][cH:61]1)=[O:62]

Participants

7

Reactant 5

HCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 8857Ethyl AcetateHCID 15413tert-Butyl methyl etherHCID 68212825HCID 68212825, compound

Product 2

HCID 313Hydrochloric AcidHCID 68212825HCID 68212825, compound

Sources & evidence

ORD record
ord-d475fb94c7814b0690a8fd59ca39e7bf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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