Hydrochloric Acid → HCID 57874389, compound

HRID 2343923Notes

Reaction equation

HRID 2343923 reaction equation
[CH3:20][CH2:21][N:22]=[C:23]=[N:24][CH2:25][CH2:26][CH2:27][N:28]([CH3:29])[CH3:30].[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[ClH:56].[NH2:49][c:50]1[cH:51][n:52][cH:53][cH:54][cH:55]1.[NH:57]1[CH2:58][CH2:59][CH:60]([O:63][c:64]2[cH:65][c:66]([C:67]#[N:68])[cH:69][cH:70][cH:71]2)[CH2:61][CH2:62]1.[O:72]=[CH:73][N:74]([CH3:75])[CH3:76].[OH2:77].[OH:10][n:11]1[c:12]2[c:13]([cH:14][cH:15][cH:16][cH:17]2)[n:18][n:19]1.[n:31]1[cH:32][c:33](-[n:37]2[n:38][n:39][c:40]([C:42](=[O:43])[NH:44][CH2:45][C:46](=[O:47])[OH:48])[cH:41]2)[cH:34][cH:35][cH:36]1>>[n:31]1[cH:32][c:33](-[n:37]2[n:38][n:39][c:40]([C:42](=[O:43])[NH:44][CH2:45][C:46](=[O:48])[N:57]3[CH2:58][CH2:59][CH:60]([O:63][c:64]4[cH:65][c:66]([C:67]#[N:68])[cH:69][cH:70][cH:71]4)[CH2:61][CH2:62]3)[cH:41]2)[cH:34][cH:35][cH:36]1

Participants

10

Reactant 9

HCID 313Hydrochloric AcidHCID 962WaterHCID 6228DimethylformamideHCID 100093-AminopyridineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 220309933-[(Piperidin-4-yl)oxy]benzonitrileHCID 66592012[(1-pyridin-3-yl-1H-[1,2,3]triazole-4-carbonyl)-amino]-acetic acid

Product 1

HCID 57874389HCID 57874389, compound

Sources & evidence

ORD record
ord-e5c21a0c3bf749ec8effce3a2934ddb2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

Loading…