Hydrochloric Acid → HCID 13768047, compound

HRID 141285Notes

Reaction equation

HRID 141285 reaction equation
[C:1]([CH3:2])(=[O:3])[N:4]=[C:5]([O:6][C:7](=[O:8])[CH3:9])[N:10]1[CH:11]([c:15]2[c:16]([O:21][CH2:22][CH2:23][N:24]3[CH2:25][CH2:26][N:27]([c:30]4[cH:31][cH:32][cH:33][cH:34][cH:35]4)[CH2:28][CH2:29]3)[cH:17][cH:18][cH:19][cH:20]2)[S:12][CH2:13][CH2:14]1.[CH3:36][CH2:37][OH:38].[ClH:41].[Na+:40].[O:42]1[CH2:43][CH2:44][CH2:45][CH2:46]1.[OH-:39].[OH2:47]>>[C:1]([CH3:2])(=[O:3])[NH:4][C:5](=[O:6])[N:10]1[CH:11]([c:15]2[c:16]([O:21][CH2:22][CH2:23][N:24]3[CH2:25][CH2:26][N:27]([c:30]4[cH:31][cH:32][cH:33][cH:34][cH:35]4)[CH2:28][CH2:29]3)[cH:17][cH:18][cH:19][cH:20]2)[S:12][CH2:13][CH2:14]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 8028TetrahydrofuranHCID 20188169HCID 20188169, compound

Product 1

HCID 13768047HCID 13768047, compound

Sources & evidence

ORD record
ord-b105a088de4647a5b8d2b36dbb6d465f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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