Hydrochloric Acid → HCID 67040280, compound

HRID 289657Notes

Reaction equation

HRID 289657 reaction equation
[CH2:60]1[O:61][CH2:62][CH2:63][O:64][CH2:65]1.[CH3:67][CH2:68][O:69][C:70](=[O:71])[CH3:72].[ClH:59].[Li+:58].[OH-:57].[OH2:56].[OH2:66].[cH:1]1[c:2]2[c:14]([cH:15][cH:16][cH:55]1)-[c:9]1[c:8]([cH:13][cH:12][cH:11][cH:10]1)[CH:3]2[CH2:4][O:5][C:6](=[O:7])[NH:17][c:18]1[cH:19][cH:20][c:21]([S:24][c:25]2[c:26]([NH:41][c:42]3[c:43]4[c:44]([n:45][cH:46][n:47]3)[n:48][c:49]([CH:52]([CH3:53])[CH3:54])[cH:50][cH:51]4)[cH:27][c:28]([C:31]([NH:32][c:33]3[cH:34][n:35][cH:36][c:37]([F:39])[cH:38]3)=[O:40])[cH:29][cH:30]2)[cH:22][cH:23]1>>[NH2:17][c:18]1[cH:19][cH:20][c:21]([S:24][c:25]2[c:26]([NH:41][c:42]3[c:43]4[c:44]([n:45][cH:46][n:47]3)[n:48][c:49]([CH:52]([CH3:53])[CH3:54])[cH:50][cH:51]4)[cH:27][c:28]([C:31]([NH:32][c:33]3[cH:34][n:35][cH:36][c:37]([F:39])[cH:38]3)=[O:40])[cH:29][cH:30]2)[cH:22][cH:23]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 961HydroxideHCID 962Water2×HCID 8857Ethyl AcetateHCID 28486Lithium ionHCID 312751,4-DioxaneHCID 67040577HCID 67040577, compound

Product 1

HCID 67040280HCID 67040280, compound

Sources & evidence

ORD record
ord-8cb0da883b884bc0b7c554d12f68a253
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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