Hydrochloric Acid → Hydrochloric Acid

HRID 1145035Notes

Reaction equation

HRID 1145035 reaction equation
[CH3:60][CH2:61][O:62][C:63](=[O:64])[CH3:65].[ClH:59].[O:66]1[CH2:67][CH2:68][O:69][CH2:70][CH2:71]1.[s:1]1[c:2]2[c:3]([cH:4][c:5]1-[c:6]1[c:7]([O:16][CH:17]3[CH2:18][CH:19]4[N:20]([C:21](=[O:53])[CH:22]([NH:45][C:46](=[O:47])[O:48][C:49]([CH3:50])([CH3:51])[CH3:52])[CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH:28]=[CH:29][CH:30]5[C:31]([C:36]([NH:37][S:38](=[O:39])(=[O:40])[CH:41]6[CH2:42][CH2:43]6)=[O:44])([NH:32][C:33]4=[O:34])[CH2:35]5)[CH2:54]3)[n:8][c:9]3[cH:10][cH:11][cH:12][cH:13][c:14]3[n:15]1)[cH:55][cH:56][cH:57][cH:58]2>>[ClH:59].[s:1]1[c:2]2[c:3]([cH:4][c:5]1-[c:6]1[c:7]([O:16][CH:17]3[CH2:18][CH:19]4[N:20]([C:21](=[O:53])[CH:22]([NH2:45])[CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH:28]=[CH:29][CH:30]5[C:31]([C:36]([NH:37][S:38](=[O:39])(=[O:40])[CH:41]6[CH2:42][CH2:43]6)=[O:44])([NH:32][C:33]4=[O:34])[CH2:35]5)[CH2:54]3)[n:8][c:9]3[cH:10][cH:11][cH:12][cH:13][c:14]3[n:15]1)[cH:55][cH:56][cH:57][cH:58]2

Participants

6

Reactant 4

HCID 313Hydrochloric AcidHCID 8857Ethyl AcetateHCID 312751,4-DioxaneHCID 178452714HCID 178452714, compound

Product 2

HCID 313Hydrochloric AcidHCID 178507554HCID 178507554, compound

Sources & evidence

ORD record
ord-340cf210085844bbb49c1f320fce7188
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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