Hydrochloric Acid → HCID 91128104, compound

HRID 1145845Notes

Reaction equation

HRID 1145845 reaction equation
[CH2:1]([CH3:2])[O:3][P:4](=[O:5])([O:6][CH2:7][CH3:8])[CH:9]=[CH:10][c:11]1[c:12]([O:22][CH2:23][c:24]2[cH:25][c:26]([O:50][CH3:51])[c:27]([O:28][CH2:29][c:30]3[n:31][c:32](-[c:36]4[cH:37][c:38]([CH2:42][C:43](=[O:44])[O:45][CH2:46][CH3:47])[cH:39][cH:40][cH:41]4)[o:33][c:34]3[CH3:35])[cH:48][cH:49]2)[n:13][n:14](-[c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[cH:15]1.[CH3:61][CH2:62][OH:63].[ClH:59].[Na+:58].[O:52]1[CH2:53][CH2:54][CH2:55][CH2:56]1.[OH-:57].[OH2:60]>>[CH2:1]([CH3:2])[O:3][P:4](=[O:5])([O:6][CH2:7][CH3:8])[CH:9]=[CH:10][c:11]1[c:12]([O:22][CH2:23][c:24]2[cH:25][c:26]([O:50][CH3:51])[c:27]([O:28][CH2:29][c:30]3[n:31][c:32](-[c:36]4[cH:37][c:38]([CH2:42][C:43](=[O:44])[OH:45])[cH:39][cH:40][cH:41]4)[o:33][c:34]3[CH3:35])[cH:48][cH:49]2)[n:13][n:14](-[c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[cH:15]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 8028TetrahydrofuranHCID 90724942HCID 90724942, compound

Product 1

HCID 91128104HCID 91128104, compound

Sources & evidence

ORD record
ord-521592de92ff47109d07da9bd8f743ef
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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