Hydrochloric Acid → HCID 69214112, compound

HRID 1211475Notes

Reaction equation

HRID 1211475 reaction equation
[CH3:1][O:2][c:3]1[c:4]([O:5][CH2:6][c:7]2[n:8][c:9](-[c:13]3[cH:14][cH:15][c:16]([CH2:19][C:20](=[O:21])[O:22][CH2:23][CH3:24])[cH:17][cH:18]3)[o:10][c:11]2[CH3:12])[cH:25][cH:26][c:27]([CH2:29][O:30][c:31]2[n:32][n:33](-[c:50]3[cH:51][cH:52][cH:53][cH:54][cH:55]3)[cH:34][c:35]2[CH:36]=[CH:37][c:38]2[n:39][c:40]([N:44]3[CH2:45][CH2:46][O:47][CH2:48][CH2:49]3)[s:41][c:42]2[CH3:43])[cH:28]1.[CH3:65][CH2:66][OH:67].[ClH:63].[Na+:62].[O:56]1[CH2:57][CH2:58][CH2:59][CH2:60]1.[OH-:61].[OH2:64]>>[CH3:1][O:2][c:3]1[c:4]([O:5][CH2:6][c:7]2[n:8][c:9](-[c:13]3[cH:14][cH:15][c:16]([CH2:19][C:20](=[O:21])[OH:22])[cH:17][cH:18]3)[o:10][c:11]2[CH3:12])[cH:25][cH:26][c:27]([CH2:29][O:30][c:31]2[n:32][n:33](-[c:50]3[cH:51][cH:52][cH:53][cH:54][cH:55]3)[cH:34][c:35]2[CH:36]=[CH:37][c:38]2[n:39][c:40]([N:44]3[CH2:45][CH2:46][O:47][CH2:48][CH2:49]3)[s:41][c:42]2[CH3:43])[cH:28]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 8028TetrahydrofuranHCID 90939996HCID 90939996, compound

Product 1

HCID 69214112HCID 69214112, compound

Sources & evidence

ORD record
ord-153c4a837d304d88b968d48bd00eef65
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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