Benzene → HCID 20374289, compound

HRID 1227851Notes

Reaction equation

HRID 1227851 reaction equation
[C:43](=[O:44])([O-:45])[O-:46].[CH2:50]([Cl:51])[Cl:52].[ClH:28].[K+:47].[K+:48].[OH2:49].[S:24]([Cl:25])([Cl:26])=[O:27].[c:1]1([C:7]([CH2:8][C:9](=[O:10])[OH:11])([c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1.[c:29]1([C:35]2([C:41]#[N:42])[CH2:36][CH2:37][NH:38][CH2:39][CH2:40]2)[cH:30][cH:31][cH:32][cH:33][cH:34]1.[cH:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1>>[c:1]1([C:7]([CH2:8][C:9](=[O:11])[N:38]2[CH2:37][CH2:36][C:35]([c:29]3[cH:30][cH:31][cH:32][cH:33][cH:34]3)([C:41]#[N:42])[CH2:40][CH2:39]2)([c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

10

Reactant 9

HCID 241BenzeneHCID 313Hydrochloric AcidHCID 813Potassium Cation2×HCID 962WaterHCID 6344DichloromethaneHCID 19660Carbonate IonHCID 24386Thionyl ChlorideHCID 1366963,3,3-Triphenylpropionic AcidHCID 1811384-Piperidinecarbonitrile, 4-phenyl-

Product 1

HCID 20374289HCID 20374289, compound

Sources & evidence

ORD record
ord-2726cdee3cb94f5c9373abb5372dc8fe
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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