Hydrochloric Acid → HCID 178468415, compound

HRID 184519Notes

Reaction equation

HRID 184519 reaction equation
[CH2:22]([CH3:23])[O:24][C:25](=[O:26])[CH:27]1[CH:28]2[CH2:29][CH2:30][CH:31]([CH:32]1[NH:33][CH2:34][CH2:35][CH:36]([CH3:37])[CH3:38])[CH2:39]2.[CH3:1][S:2](=[O:3])(=[O:4])[NH:5][c:6]1[cH:7][c:8]2[c:9]([cH:20][cH:21]1)[NH:10][C:11]([CH2:16][C:17](=[O:18])[OH:19])=[N:12][S:13]2(=[O:14])=[O:15].[CH3:41][N:42]([CH3:43])[CH2:44][CH2:45][CH2:46][N:47]=[C:48]=[N:49][CH2:50][CH3:51].[CH3:52][N:53]1[CH2:54][CH2:55][O:56][CH2:57][CH2:58]1.[CH3:60][N:61]([CH3:62])[CH:63]=[O:64].[ClH:40].[ClH:59]>>[CH3:1][S:2](=[O:3])(=[O:4])[NH:5][c:6]1[cH:7][c:8]2[c:9]([cH:20][cH:21]1)[NH:10][C:11]([CH2:16][C:17](=[O:19])[N:33]([CH:32]1[CH:27]([C:25]([O:24][CH2:22][CH3:23])=[O:26])[CH:28]3[CH2:29][CH2:30][CH:31]1[CH2:39]3)[CH2:34][CH2:35][CH:36]([CH3:37])[CH3:38])=[N:12][S:13]2(=[O:14])=[O:15]

Participants

7

Reactant 6

HCID 313Hydrochloric Acid2×HCID 6228DimethylformamideHCID 79724-MethylmorpholineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 248585392H-1,2,4-Benzothiadiazine-3-acetic acid, 7-[(methylsulfonyl)amino]-, 1,1-dioxideHCID 69026706Ethyl 3-(3-methylbutylamino)bicyclo[2.2.1]heptane-2-carboxylate

Product 1

HCID 178468415HCID 178468415, compound

Sources & evidence

ORD record
ord-b92ce004b35c44a5a3405209d8f29b10
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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