Hydrochloric Acid → HCID 25177087, compound

HRID 310247Notes

Reaction equation

HRID 310247 reaction equation
[C:33]([O:34][CH2:35][CH3:36])(=[O:37])[CH3:38].[CH3:1][O:2][C:3]([c:4]1[c:5]([CH3:28])[cH:6][c:7]([CH3:27])[c:8](-[c:10]2[n:11][c:12]([NH2:26])[n:13][c:14]([S:16][CH2:17][CH2:18][NH:19][C:20]([CH2:21][CH2:22][CH2:23][NH2:24])=[O:25])[cH:15]2)[cH:9]1)=[O:29].[CH3:41][N:42]([CH3:43])[CH2:44][CH2:45][CH2:46][N:47]=[C:48]=[N:49][CH2:50][CH3:51].[CH3:72][OH:73].[CH:62]([N:63]([CH:64]([CH3:65])[CH3:66])[CH2:67][CH3:68])([CH3:69])[CH3:70].[ClH:39].[ClH:40].[Li+:32].[O:74]1[CH2:75][CH2:76][CH2:77][CH2:78]1.[OH-:31].[OH2:30].[OH2:71].[OH:52][n:53]1[c:54]2[cH:55][cH:56][cH:57][cH:58][c:59]2[n:60][n:61]1>>[O:2]=[C:3]1[c:4]2[c:5]([CH3:28])[cH:6][c:7]([CH3:27])[c:8]([cH:9]2)-[c:10]2[n:11][c:12]([NH2:26])[n:13][c:14]([cH:15]2)[S:16][CH2:17][CH2:18][NH:19][C:20](=[O:25])[CH2:21][CH2:22][CH2:23][NH:24]1

Participants

12

Reactant 11

HCID 313Hydrochloric Acid2×HCID 887MethanolHCID 961HydroxideHCID 962Water2×HCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 28486Lithium ionHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 59224646HCID 59224646, compound

Product 1

HCID 25177087HCID 25177087, compound

Sources & evidence

ORD record
ord-0cbf1ca242fc41e9831d6ab2fc005f1b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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