Hydrochloric Acid → HCID 75047711, compound

HRID 1149740Notes

Reaction equation

HRID 1149740 reaction equation
[CH3:16][N:17]([CH3:18])[CH2:19][CH2:20][CH2:21][N:22]=[C:23]=[N:24][CH2:25][CH3:26].[Cl:1][c:2]1[c:3]([C:11]([F:12])([F:13])[F:14])[cH:4][c:5]([C:6](=[O:7])[OH:8])[cH:9][cH:10]1.[Cl:27][c:28]1[cH:29][c:30]([CH:35]2[CH2:36][N:37]([C:42](=[O:43])[CH:44]3[CH2:45][CH2:46][N:47]([C:50](=[O:51])[C:52]4([CH3:55])[CH2:53][CH2:54]4)[CH2:48][CH2:49]3)[CH2:38][CH:39]2[NH:40][CH3:41])[cH:31][cH:32][c:33]1[Cl:34].[Cl:56][CH2:57][Cl:58].[ClH:15]>>[Cl:1][c:2]1[c:3]([C:11]([F:12])([F:13])[F:14])[cH:4][c:5]([C:6](=[O:8])[N:40]([CH:39]2[CH:35]([c:30]3[cH:29][c:28]([Cl:27])[c:33]([Cl:34])[cH:32][cH:31]3)[CH2:36][N:37]([C:42](=[O:43])[CH:44]3[CH2:45][CH2:46][N:47]([C:50](=[O:51])[C:52]4([CH3:55])[CH2:53][CH2:54]4)[CH2:48][CH2:49]3)[CH2:38]2)[CH3:41])[cH:9][cH:10]1

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 27738574-Chloro-3-(trifluoromethyl)benzoic acidHCID 67025815[(3SR,4RS)-3-(3,4-Dichloro-phenyl)-4-methylamino-pyrrolidin-1-yl]-[1-(1-methyl-cyclopropanecarbonyl)-piperidin-4-yl]-methanone

Product 1

HCID 75047711HCID 75047711, compound

Sources & evidence

ORD record
ord-f05fa00ae6d14fb0baac67459286efb8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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