Hydrochloric Acid → HCID 44433598, compound

HRID 1238746Notes

Reaction equation

HRID 1238746 reaction equation
[C:61]([O:62][BH-:63]([O:64][C:65](=[O:66])[CH3:67])[O:68][C:69](=[O:70])[CH3:71])(=[O:72])[CH3:73].[CH3:22][CH2:23][N:24]([CH2:25][CH3:26])[CH2:27][CH3:28].[CH3:29][S:30](=[O:31])(=[O:32])[N:33]1[CH2:34][c:35]2[c:36]([n:39]([CH2:52][CH2:53][CH:54]=[O:55])[n:40][c:41]2-[c:42]2[cH:43][cH:44][c:45]([C:48]([F:49])([F:50])[F:51])[cH:46][cH:47]2)[CH2:37][CH2:38]1.[CH3:2][O:3][C:4](=[O:5])[c:6]1[c:7]([CH:16]2[CH2:17][CH2:18][NH:19][CH2:20][CH2:21]2)[c:8]2[c:9]([s:10]1)[cH:11][c:12]([F:15])[cH:13][cH:14]2.[Cl:75][CH2:76][Cl:77].[ClH:1].[Na+:60].[Na+:74].[O-:56][C:57]([OH:58])=[O:59]>>[CH3:2][O:3][C:4](=[O:5])[c:6]1[c:7]([CH:16]2[CH2:17][CH2:18][N:19]([CH2:54][CH2:53][CH2:52][n:39]3[c:36]4[c:35]([c:41](-[c:42]5[cH:43][cH:44][c:45]([C:48]([F:49])([F:50])[F:51])[cH:46][cH:47]5)[n:40]3)[CH2:34][N:33]([S:30]([CH3:29])(=[O:31])=[O:32])[CH2:38][CH2:37]4)[CH2:20][CH2:21]2)[c:8]2[c:9]([s:10]1)[cH:11][c:12]([F:15])[cH:13][cH:14]2

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 6344DichloromethaneHCID 8471TriethylamineHCID 2724942TriacetoxyborohydrideHCID 222938973-[5-Methanesulfonyl-3-(4-trifluoromethyl-phenyl)-4,5,6,7-tetrahydro-pyrazolo[4,3-c]pyridin-1-yl]-propionaldehydeHCID 69181930HCID 69181930, compound

Product 1

HCID 44433598HCID 44433598, compound

Sources & evidence

ORD record
ord-baf3895f78db4881a4ab5048addb1c36
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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