Hydrochloric Acid → HCID 46928864, compound

HRID 1555702Notes

Reaction equation

HRID 1555702 reaction equation
[CH2:44]([N:45]([CH:46]([CH3:47])[CH3:48])[CH:49]([CH3:50])[CH3:51])[CH3:52].[CH2:65]1[O:66][CH2:67][CH2:68][CH2:69]1.[CH3:26][n:27]1[n:28][cH:29][c:30]([NH2:32])[cH:31]1.[CH3:54][N:55]([CH3:56])[CH2:57][CH2:58][CH2:59][N:60]=[C:61]=[N:62][CH2:63][CH3:64].[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][o:10][c:11]([CH2:24][OH:25])[c:12]2[CH2:13][O:14][c:15]2[n:16][cH:17][c:18]([C:19](=[O:20])[OH:21])[cH:22][cH:23]2)[cH:6][cH:7]1.[ClH:53].[OH2:33].[OH:34][n:35]1[c:36]2[cH:37][cH:38][cH:39][cH:40][c:41]2[n:42][n:43]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][o:10][c:11]([CH2:24][OH:25])[c:12]2[CH2:13][O:14][c:15]2[n:16][cH:17][c:18]([C:19](=[O:20])[NH:32][c:30]3[cH:29][n:28][n:27]([CH3:26])[cH:31]3)[cH:22][cH:23]2)[cH:6][cH:7]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 962WaterHCID 8028TetrahydrofuranHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 47709901-methyl-1H-pyrazol-4-amineHCID 667181326-[3-(4-Chloro-phenyl)-5-hydroxymethyl-isoxazol-4-ylmethoxy]-nicotinic acid

Product 1

HCID 46928864HCID 46928864, compound

Sources & evidence

ORD record
ord-e775dba2123d4e3fa5baddb6314340a4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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