Hydrochloric Acid → HCID 178437519, compound

HRID 1558067Notes

Reaction equation

HRID 1558067 reaction equation
[CH3:73][OH:74].[Cl:1][c:2]1[c:3]([C:34](=[O:35])[NH:36][CH2:37][c:38]2[cH:39][cH:40][c:41]([F:65])[c:42](-[c:44]3[cH:45][c:46]([CH2:50][N:51]4[CH2:52][CH:53]([CH3:64])[N:54]([C:57]([O:58][C:59]([CH3:60])([CH3:61])[CH3:62])=[O:63])[CH2:55][CH2:56]4)[cH:47][cH:48][cH:49]3)[cH:43]2)[cH:4][c:5]([S:9](=[O:10])(=[O:11])[NH:12][CH2:13][c:14]2[c:15]([NH:27][CH:28]3[CH2:29][CH2:30][O:31][CH2:32][CH2:33]3)[c:16]3[c:17]([n:18][c:19]2[CH2:20][CH3:21])[n:22]([CH2:25][CH3:26])[n:23][cH:24]3)[c:6]([F:8])[cH:7]1.[ClH:66].[O:67]1[CH2:68][CH2:69][O:70][CH2:71][CH2:72]1>>[Cl:1][c:2]1[c:3]([C:34](=[O:35])[NH:36][CH2:37][c:38]2[cH:39][cH:40][c:41]([F:65])[c:42](-[c:44]3[cH:45][c:46]([CH2:50][N:51]4[CH2:52][CH:53]([CH3:64])[NH:54][CH2:55][CH2:56]4)[cH:47][cH:48][cH:49]3)[cH:43]2)[cH:4][c:5]([S:9](=[O:10])(=[O:11])[NH:12][CH2:13][c:14]2[c:15]([NH:27][CH:28]3[CH2:29][CH2:30][O:31][CH2:32][CH2:33]3)[c:16]3[c:17]([n:18][c:19]2[CH2:20][CH3:21])[n:22]([CH2:25][CH3:26])[n:23][cH:24]3)[c:6]([F:8])[cH:7]1

Participants

5

Reactant 4

HCID 313Hydrochloric AcidHCID 887MethanolHCID 312751,4-DioxaneHCID 178437520HCID 178437520, compound

Product 1

HCID 178437519HCID 178437519, compound

Sources & evidence

ORD record
ord-fff92bfe4678453ab79d23ceff0853a7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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