Water → HCID 178424602, compound

HRID 2136082Notes

Reaction equation

HRID 2136082 reaction equation
[CH3:12][CH2:13][N:14]([CH2:15][CH3:16])[CH2:17][CH3:18].[Cl:63][CH2:64][Cl:65].[F:32][C:33]([c:34]1[cH:35][c:36]([C:37](=[O:38])[N:39]2[CH:40]([CH2:45][c:46]3[cH:47][c:48]([CH3:53])[c:49]([CH3:52])[cH:50][cH:51]3)[CH2:41][NH:42][CH2:43][CH2:44]2)[cH:54][c:55]([C:57]([F:58])([F:59])[F:60])[cH:56]1)([F:61])[F:62].[OH2:66].[c:19]1([C:20]([Cl:21])=[O:22])[c:23]2[c:24]([cH:25][cH:26][cH:27][cH:28]2)[cH:29][cH:30][cH:31]1.[n:1]1[cH:2][c:3]([CH:7]=[CH:8][C:9](=[O:10])[OH:11])[cH:4][cH:5][cH:6]1>>[n:1]1[cH:2][c:3]([CH:7]=[CH:8][C:9](=[O:11])[N:42]2[CH2:41][CH:40]([CH2:45][c:46]3[cH:47][c:48]([CH3:53])[c:49]([CH3:52])[cH:50][cH:51]3)[N:39]([C:37]([c:36]3[cH:35][c:34]([C:33]([F:32])([F:61])[F:62])[cH:56][c:55]([C:57]([F:58])([F:59])[F:60])[cH:54]3)=[O:38])[CH2:44][CH2:43]2)[cH:4][cH:5][cH:6]1

Participants

7

Reactant 6

HCID 962WaterHCID 6344DichloromethaneHCID 8471TriethylamineHCID 701461-Naphthalenecarbonyl chlorideHCID 1019843-(3-Pyridinyl)-2-propenoic acidHCID 18703556[3,5-Bis(trifluoromethyl)phenyl]-[2-[(3,4-dimethylphenyl)methyl]piperazin-1-yl]methanone

Product 1

HCID 178424602HCID 178424602, compound

Sources & evidence

ORD record
ord-4f7308bcc10e42ee8953b9eaf943a225
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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