Hydrochloric Acid → HCID 57671235, compound

HRID 90269Notes

Reaction equation

HRID 90269 reaction equation
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[CH:6]1[CH:7]([NH:11][CH2:12][c:13]2[cH:14][cH:15][c:16]([F:19])[cH:17][cH:18]2)[CH2:8][CH2:9][CH2:10]1.[CH3:36][N:37]1[CH2:38][CH2:39][O:40][CH2:41][CH2:42]1.[CH3:44][N:45]([CH3:46])[CH2:47][CH2:48][CH2:49][N:50]=[C:51]=[N:52][CH2:53][CH3:54].[CH3:56][N:57]([CH3:58])[CH:59]=[O:60].[ClH:43].[ClH:55].[O:20]=[S:21]1(=[O:35])[N:22]=[C:23]([CH2:31][C:32](=[O:33])[OH:34])[NH:24][c:25]2[c:26]1[cH:27][cH:28][cH:29][cH:30]2>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[CH:6]1[CH:7]([N:11]([CH2:12][c:13]2[cH:14][cH:15][c:16]([F:19])[cH:17][cH:18]2)[C:32]([CH2:31][C:23]2=[N:22][S:21](=[O:20])(=[O:35])[c:26]3[c:25]([cH:30][cH:29][cH:28][cH:27]3)[NH:24]2)=[O:33])[CH2:8][CH2:9][CH2:10]1

Participants

7

Reactant 6

HCID 313Hydrochloric Acid2×HCID 6228DimethylformamideHCID 79724-MethylmorpholineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 11708529(1,1-Dioxo-1,4-dihydro-1lambda6-benzo[1,2,4]thiadiazin-3-yl)-acetic acidHCID 57832626Cyclopentanecarboxylic acid, 2-[[(4-fluorophenyl)methyl]amino]-, ethyl ester

Product 1

HCID 57671235HCID 57671235, compound

Sources & evidence

ORD record
ord-0806e8c63262486e9b6645767fac3479
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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