Hydrochloric Acid → HCID 18512035, compound

HRID 676782Notes

Reaction equation

HRID 676782 reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]([c:9]1[c:10]([CH3:20])[c:11]([NH:15][S:16](=[O:17])(=[O:18])[CH3:19])[cH:12][cH:13][cH:14]1)[CH2:21][c:22]1[cH:23][cH:24][c:25]([O:26][c:27]2[cH:28][c:29]([O:30][CH2:31][CH2:32][CH2:33][C:34](=[O:35])[N:36]3[CH2:37][CH:38]([C:42](=[O:43])[O:44][CH2:45][CH3:46])[CH2:39][CH2:40][CH2:41]3)[cH:47][cH:48][cH:49]2)[cH:50][cH:51]1.[CH2:54]([OH:55])[CH3:56].[CH3:58][CH2:59][O:60][C:61](=[O:62])[CH3:63].[ClH:57].[Na+:53].[O:64]1[CH2:65][CH2:66][CH2:67][CH2:68]1.[OH-:52]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]([c:9]1[c:10]([CH3:20])[c:11]([NH:15][S:16](=[O:17])(=[O:18])[CH3:19])[cH:12][cH:13][cH:14]1)[CH2:21][c:22]1[cH:23][cH:24][c:25]([O:26][c:27]2[cH:28][c:29]([O:30][CH2:31][CH2:32][CH2:33][C:34](=[O:35])[N:36]3[CH2:37][CH:38]([C:42](=[O:43])[OH:44])[CH2:39][CH2:40][CH2:41]3)[cH:47][cH:48][cH:49]2)[cH:50][cH:51]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 18512294HCID 18512294, compound

Product 1

HCID 18512035HCID 18512035, compound

Sources & evidence

ORD record
ord-74c70f16a71e4771a1ac7473f8cd773e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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