Hydrochloric Acid → HCID 69086039, compound

HRID 311208Notes

Reaction equation

HRID 311208 reaction equation
[CH2:17]([CH3:18])[O:19][C:20](=[O:21])[CH:22]1[CH:23]2[CH2:24][CH2:25][CH:26]([CH:27]1[NH:28][CH2:29][c:30]1[cH:31][cH:32][c:33]([F:36])[cH:34][cH:35]1)[CH2:37]2.[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.[CH3:58][N:59]([CH3:60])[CH:61]=[O:62].[ClH:38].[ClH:57].[O:1]=[S:2]1(=[O:16])[N:3]=[C:4]([CH2:12][C:13](=[O:14])[OH:15])[NH:5][c:6]2[c:7]1[cH:8][cH:9][cH:10][cH:11]2>>[O:1]=[S:2]1(=[O:16])[N:3]=[C:4]([CH2:12][C:13](=[O:15])[N:28]([CH:27]2[CH:22]([C:20]([O:19][CH2:17][CH3:18])=[O:21])[CH:23]3[CH2:24][CH2:25][CH:26]2[CH2:37]3)[CH2:29][c:30]2[cH:31][cH:32][c:33]([F:36])[cH:34][cH:35]2)[NH:5][c:6]2[c:7]1[cH:8][cH:9][cH:10][cH:11]2

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 58339536HCID 58339536, compound

Product 1

HCID 69086039HCID 69086039, compound

Sources & evidence

ORD record
ord-05e07b72914e4f69b1cb8bf55ea3f597
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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