Hydrochloric Acid → 2-{(4-Fluoro-benzyl)-[2-(7-iodo-1,1-dioxo-1,4-dihydro-1lambda6 benzo[1,2,4]thiadiazin-3-yl)-acetyl]-amino}-cyclohexanecarboxylic acid ethyl ester

HRID 2321296Notes

Reaction equation

HRID 2321296 reaction equation
[CH2:18]([CH3:19])[O:20][C:21](=[O:22])[CH:23]1[CH:24]([NH:29][CH2:30][c:31]2[cH:32][cH:33][c:34]([F:37])[cH:35][cH:36]2)[CH2:25][CH2:26][CH2:27][CH2:28]1.[CH3:39][N:40]([CH3:41])[CH2:42][CH2:43][CH2:44][N:45]=[C:46]=[N:47][CH2:48][CH3:49].[CH3:50][N:51]1[CH2:52][CH2:53][O:54][CH2:55][CH2:56]1.[CH3:57][N:58]([CH3:59])[CH:60]=[O:61].[CH3:62][CH2:63][O:64][C:65](=[O:66])[CH3:67].[ClH:38].[I:1][c:2]1[cH:3][c:4]2[c:5]([cH:16][cH:17]1)[NH:6][C:7]([CH2:12][C:13](=[O:14])[OH:15])=[N:8][S:9]2(=[O:10])=[O:11]>>[I:1][c:2]1[cH:3][c:4]2[c:5]([cH:16][cH:17]1)[NH:6][C:7]([CH2:12][C:13](=[O:15])[N:29]([CH:24]1[CH:23]([C:21]([O:20][CH2:18][CH3:19])=[O:22])[CH2:28][CH2:27][CH2:26][CH2:25]1)[CH2:30][c:31]1[cH:32][cH:33][c:34]([F:37])[cH:35][cH:36]1)=[N:8][S:9]2(=[O:10])=[O:11]

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 79724-MethylmorpholineHCID 8857Ethyl AcetateHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 576712242-(4-Fluoro-benzylamino)-cyclohexanecarboxylic acid ethyl esterHCID 59853574(7-Iodo-1,1-dioxo-1,4-dihydro-1lambda6-benzo[1,2,4]thiadiazin-3-yl)-acetic acid

Product 1

HCID 576712042-{(4-Fluoro-benzyl)-[2-(7-iodo-1,1-dioxo-1,4-dihydro-1lambda6 benzo[1,2,4]thiadiazin-3-yl)-acetyl]-amino}-cyclohexanecarboxylic acid ethyl ester

Sources & evidence

ORD record
ord-5f254b60a9524314be58793074116c41
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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