Hydrochloric Acid → HCID 20757816, compound

HRID 142598Notes

Reaction equation

HRID 142598 reaction equation
[C:1]([O:2][C:3](=[O:4])[N:8]1[CH:9]([C:13]([NH:14][CH2:15][C:16]([CH3:17])([CH3:18])[OH:19])=[O:20])[CH2:10][CH2:11][CH2:12]1)([CH3:5])([CH3:6])[CH3:7].[CH3:22][CH2:23][N:24]([CH2:25][CH3:26])[CH2:27][CH3:28].[Cl:29][c:30]1[cH:31][c:32]([N:37]2[C:38](=[O:62])[C:39]([CH2:49][c:50]3[cH:51][cH:52][c:53]([O:56][C:57]([F:58])([F:59])[F:60])[cH:54][cH:55]3)([CH3:61])[n:40]3[c:41]2[n:42][cH:43][c:44]3[S:45](=[O:46])(=[O:47])[Cl:48])[cH:33][c:34]([Cl:36])[cH:35]1.[Cl:69][CH2:70][Cl:71].[ClH:21].[O:63]1[CH2:64][CH2:65][O:66][CH2:67][CH2:68]1>>[N:8]1([S:45]([c:44]2[n:40]3[c:41]([n:42][cH:43]2)[N:37]([c:32]2[cH:31][c:30]([Cl:29])[cH:35][c:34]([Cl:36])[cH:33]2)[C:38](=[O:62])[C:39]3([CH2:49][c:50]2[cH:51][cH:52][c:53]([O:56][C:57]([F:58])([F:59])[F:60])[cH:54][cH:55]2)[CH3:61])(=[O:46])=[O:47])[CH:9]([C:13]([NH:14][CH2:15][C:16]([CH3:17])([CH3:18])[OH:19])=[O:20])[CH2:10][CH2:11][CH2:12]1

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 8471TriethylamineHCID 312751,4-DioxaneHCID 20757874HCID 20757874, compoundHCID 22596181HCID 22596181, compound

Product 1

HCID 20757816HCID 20757816, compound

Sources & evidence

ORD record
ord-5f01a38bf25a4eea8bc26df1d9c8eed7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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