Hydrochloric Acid → Hydrochloric Acid

HRID 1544755Notes

Reaction equation

HRID 1544755 reaction equation
[CH:50]1([N:51]=[C:52]=[N:53][CH:54]2[CH2:55][CH2:56][CH2:57][CH2:58][CH2:59]2)[CH2:60][CH2:61][CH2:62][CH2:63][CH2:64]1.[ClH:37].[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][CH2:9][CH2:10][CH:11]([CH3:12])[c:13]2[cH:14][c:15]3[c:16]([c:17]([OH:19])[cH:18]2)[C:20]2=[C:25]([CH2:24][CH2:23][N:22]([CH2:30][C:31](=[O:32])[NH:33][C:34](=[O:35])[NH2:36])[CH2:21]2)[C:26]([CH3:28])([CH3:29])[O:27]3)[cH:6][cH:7]1.[O:38]1[CH2:39][CH2:40][N:41]([CH2:44][CH2:45][CH2:46][C:47](=[O:48])[OH:49])[CH2:42][CH2:43]1>>[ClH:37].[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][CH2:9][CH2:10][CH:11]([CH3:12])[c:13]2[cH:14][c:15]3[c:16]([c:17]([O:19][C:47]([CH2:46][CH2:45][CH2:44][N:41]4[CH2:40][CH2:39][O:38][CH2:43][CH2:42]4)=[O:48])[cH:18]2)[C:20]2=[C:25]([CH2:24][CH2:23][N:22]([CH2:30][C:31](=[O:32])[NH:33][C:34](=[O:35])[NH2:36])[CH2:21]2)[C:26]([CH3:28])([CH3:29])[O:27]3)[cH:6][cH:7]1

Participants

6

Reactant 4

HCID 313Hydrochloric AcidHCID 10868DicyclohexylcarbodiimideHCID 798724-Morpholinebutanoic acidHCID 44327286{{8-[5-(4-Fluorophenyl)-2-pentyl]-10-hydroxy-5,5-dimethyl-1,2,3,4-tetrahydro-5H-[1]benzopyrano[4,3-c]pyridin-2-yl}acetyl}urea

Product 2

HCID 313Hydrochloric AcidHCID 54497953[2-[2-(carbamoylamino)-2-oxoethyl]-8-[5-(4-fluorophenyl)pentan-2-yl]-5,5-dimethyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-10-yl] 4-morpholin-4-ylbutanoate

Sources & evidence

ORD record
ord-8ca74439c0904a6f85566ca1ed751957
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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