Hydrochloric Acid → HCID 178489466, compound

HRID 1221735Notes

Reaction equation

HRID 1221735 reaction equation
[C:67](=[O:68])([OH:69])[O-:70].[CH3:33][O:34][c:35]1[c:36]([CH2:41][C:42](=[O:43])[OH:44])[cH:37][cH:38][cH:39][cH:40]1.[CH3:56][N:57]([CH3:58])[CH2:59][CH2:60][CH2:61][N:62]=[C:63]=[N:64][CH2:65][CH3:66].[Cl:72][CH2:73][Cl:74].[ClH:55].[F:1][C:2]([c:3]1[cH:4][c:5]([C:6](=[O:7])[N:8]2[CH:9]([CH2:14][c:15]3[cH:16][nH:17][c:18]4[cH:19][cH:20][cH:21][cH:22][c:23]34)[CH2:10][NH:11][CH2:12][CH2:13]2)[cH:24][c:25]([C:27]([F:28])([F:29])[F:30])[cH:26]1)([F:31])[F:32].[Na+:71].[OH:45][n:46]1[c:47]2[cH:48][cH:49][cH:50][cH:51][c:52]2[n:53][n:54]1>>[F:1][C:2]([c:3]1[cH:4][c:5]([C:6](=[O:7])[N:8]2[CH:9]([CH2:14][c:15]3[cH:16][nH:17][c:18]4[cH:19][cH:20][cH:21][cH:22][c:23]34)[CH2:10][N:11]([C:42]([CH2:41][c:36]3[c:35]([O:34][CH3:33])[cH:40][cH:39][cH:38][cH:37]3)=[O:43])[CH2:12][CH2:13]2)[cH:24][c:25]([C:27]([F:28])([F:29])[F:30])[cH:26]1)([F:31])[F:32]

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 6344DichloromethaneHCID 71342-Methoxyphenylacetic acidHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 21978777[3,5-bis(trifluoromethyl)phenyl]-[2-(1H-indol-3-ylmethyl)piperazin-1-yl]methanone

Product 1

HCID 178489466HCID 178489466, compound

Sources & evidence

ORD record
ord-0386b5c061304a7f98230d616eb99a17
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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