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Hydrochloric Acid → Biphenyl-2-ylcarbamic Acid 1-(2-{[3-(4-Formylphenylcarbamoyl)-phenyl]methylcarbamoyl}ethyl)piperidin-4-yl Ester

HRID 683986
Notes
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Reaction equation

HRID 683986 reaction equation
[C:50](=[O:51])([OH:52])[O-:53].[CH3:55][C:56]#[N:57].[ClH:49].[Na+:54].[O:1]1[CH:2]([c:6]2[cH:7][cH:8][c:9]([NH:12][C:13](=[O:14])[c:15]3[cH:16][c:17]([CH2:21][NH:22][C:23](=[O:24])[CH2:25][CH2:26][N:27]4[CH2:28][CH2:29][CH:30]([O:33][C:34]([NH:35][c:36]5[c:37](-[c:42]6[cH:43][cH:44][cH:45][cH:46][cH:47]6)[cH:38][cH:39][cH:40][cH:41]5)=[O:48])[CH2:31][CH2:32]4)[cH:18][cH:19][cH:20]3)[cH:10][cH:11]2)[O:5][CH2:4][CH2:3]1>>[O:1]=[CH:2][c:6]1[cH:7][cH:8][c:9]([NH:12][C:13](=[O:14])[c:15]2[cH:16][c:17]([CH2:21][NH:22][C:23](=[O:24])[CH2:25][CH2:26][N:27]3[CH2:28][CH2:29][CH:30]([O:33][C:34]([NH:35][c:36]4[c:37](-[c:42]5[cH:43][cH:44][cH:45][cH:46][cH:47]5)[cH:38][cH:39][cH:40][cH:41]4)=[O:48])[CH2:31][CH2:32]3)[cH:18][cH:19][cH:20]2)[cH:10][cH:11]1
ParticipantsSources & evidenceReaction notes

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium IonHCID 6342AcetonitrileHCID 66771841Biphenyl-2-ylcarbamic Acid 1-(2-{[3-(4-(1,3-Dioxolan-2-yl)-phenylcarbamoyl)phenyl]methylcarbamoyl}ethyl)piperidin-4-yl Ester

Product 1

HCID 86646970
Biphenyl-2-ylcarbamic Acid 1-(2-{[3-(4-Formylphenylcarbamoyl)-phenyl]methylcarbamoyl}ethyl)piperidin-4-yl Ester

Sources & evidence

ORD record
ord-583b2b5bb5d5444da26dabc113bd4313
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes