Acetic Acid → HCID 10167304, compound

HRID 1229403Notes

Reaction equation

HRID 1229403 reaction equation
[C:44]([OH:45])(=[O:46])[CH3:47].[CH3:1][S:2](=[O:3])(=[O:4])[N:5]1[CH2:6][c:7]2[c:8]([n:11]([CH2:24][CH2:25][CH:26]=[O:27])[n:12][c:13]2-[c:14]2[cH:15][cH:16][c:17]([C:20]([F:21])([F:22])[F:23])[cH:18][cH:19]2)[CH2:9][CH2:10]1.[CH3:56][CH2:57][N:58]([CH2:59][CH3:60])[CH2:61][CH3:62].[Cl:53][CH2:54][Cl:55].[ClH:28].[NH:29]1[CH2:30][CH2:31][CH:32]([n:35]2[n:36][n:37][c:38]3[c:39]2[cH:40][cH:41][cH:42][cH:43]3)[CH2:33][CH2:34]1.[Na+:52].[O-:48][C:49]([OH:50])=[O:51]>>[CH3:1][S:2](=[O:3])(=[O:4])[N:5]1[CH2:6][c:7]2[c:8]([n:11]([CH2:24][CH2:25][CH2:26][N:29]3[CH2:30][CH2:31][CH:32]([n:35]4[n:36][n:37][c:38]5[c:39]4[cH:40][cH:41][cH:42][cH:43]5)[CH2:33][CH2:34]3)[n:12][c:13]2-[c:14]2[cH:15][cH:16][c:17]([C:20]([F:21])([F:22])[F:23])[cH:18][cH:19]2)[CH2:9][CH2:10]1

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 6344DichloromethaneHCID 8471TriethylamineHCID 27354641-(piperidin-4-yl)-1H-1,2,3-benzotriazoleHCID 222938973-[5-Methanesulfonyl-3-(4-trifluoromethyl-phenyl)-4,5,6,7-tetrahydro-pyrazolo[4,3-c]pyridin-1-yl]-propionaldehyde

Product 1

HCID 10167304HCID 10167304, compound

Sources & evidence

ORD record
ord-240dd787ecf644a3b84a9fab68d9d0cb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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