Hydrochloric Acid → HCID 25117304, compound

HRID 295675Notes

Reaction equation

HRID 295675 reaction equation
[CH2:50]1[O:51][CH2:52][CH2:53][O:54][CH2:55]1.[CH3:57][CH2:58][O:59][C:60](=[O:61])[CH3:62].[Cl:1][C:2]([Cl:3])([Cl:4])[CH2:5][O:44][C:45]([NH:6][c:7]1[cH:8][cH:9][c:10]([S:13][c:14]2[c:15]([NH:30][c:31]3[c:32]4[c:33]([n:34][cH:35][n:36]3)[n:37][c:38]([CH:41]([CH3:42])[CH3:43])[cH:39][cH:40]4)[cH:16][c:17]([C:20](=[O:21])[N:22]3[CH2:23][CH:24]([CH3:29])[O:25][CH:26]([CH3:28])[CH2:27]3)[cH:18][cH:19]2)[cH:11][cH:12]1)=[O:46].[ClH:49].[Na+:48].[OH-:47].[OH2:56]>>[NH2:6][c:7]1[cH:8][cH:9][c:10]([S:13][c:14]2[c:15]([NH:30][c:31]3[c:32]4[c:33]([n:34][cH:35][n:36]3)[n:37][c:38]([CH:41]([CH3:42])[CH3:43])[cH:39][cH:40]4)[cH:16][c:17]([C:20](=[O:21])[N:22]3[CH2:23][CH:24]([CH3:29])[O:25][CH:26]([CH3:28])[CH2:27]3)[cH:18][cH:19]2)[cH:11][cH:12]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 8857Ethyl AcetateHCID 312751,4-DioxaneHCID 67040718HCID 67040718, compound

Product 1

HCID 25117304HCID 25117304, compound

Sources & evidence

ORD record
ord-8ca81a92dd094ed7b68c8304a4ed7be3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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