Hydrochloric Acid → Hydrochloric Acid

HRID 686671Notes

Reaction equation

HRID 686671 reaction equation
[C:60](=[O:61])([OH:62])[O-:63].[CH2:21]([N:22]=[C:23]=[N:24][CH2:25][CH2:26][CH2:27][N:28]([CH3:29])[CH3:30])[CH3:31].[CH3:53][CH2:54][N:55]([CH2:56][CH3:57])[CH2:58][CH3:59].[CH3:70][CH2:71][O:72][C:73](=[O:74])[CH3:75].[ClH:20].[ClH:42].[ClH:43].[NH2:44][CH:45]1[CH2:46][N:47]2[CH2:48][CH2:49][CH:50]1[CH2:51][CH2:52]2.[Na+:64].[O:65]=[CH:66][N:67]([CH3:68])[CH3:69].[OH:1][c:2]1[c:3](-[c:8]2[o:9][c:10]3[c:11]([n:12]2)[c:13]([C:17](=[O:18])[OH:19])[cH:14][cH:15][cH:16]3)[cH:4][cH:5][cH:6][cH:7]1.[OH:32][n:33]1[c:34]2[cH:35][cH:36][cH:37][cH:38][c:39]2[n:40][n:41]1>>[ClH:20].[OH:1][c:2]1[c:3](-[c:8]2[o:9][c:10]3[c:11]([n:12]2)[c:13]([C:17](=[O:19])[NH:44][CH:45]2[CH2:46][N:47]4[CH2:48][CH2:49][CH:50]2[CH2:51][CH2:52]4)[cH:14][cH:15][cH:16]3)[cH:4][cH:5][cH:6][cH:7]1

Participants

12

Reactant 10

HCID 313Hydrochloric Acid3×HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6228DimethylformamideHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 1232383-AminoquinuclidineHCID 135957253Caboxamycin

Product 2

HCID 313Hydrochloric AcidHCID 136162983N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(2-hydroxyphenyl)-1,3-benzoxazole-4-carboxamide

Sources & evidence

ORD record
ord-c91be9d5009249cc9d6705f6e6938f21
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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