Hydrochloric Acid → HCID 57874416, compound

HRID 671334Notes

Reaction equation

HRID 671334 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].[Cl:57][c:58]1[c:59]([O:60][CH:61]2[CH2:62][NH:63][CH2:64][CH2:65]2)[cH:66][cH:67][cH:68][cH:69]1.[ClH:56].[NH2:49][c:50]1[cH:51][n:52][cH:53][cH:54][cH:55]1.[O:70]=[CH:71][N:72]([CH3:73])[CH3:74].[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:63]3[CH2:62][CH:61]([O:60][c:59]4[c:58]([Cl:57])[cH:69][cH:68][cH:67][cH:66]4)[CH2:65][CH2:64]3)[cH:41]2)[cH:34][cH:35][cH:36]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 100093-AminopyridineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 24902291HCID 24902291, compoundHCID 66592012[(1-pyridin-3-yl-1H-[1,2,3]triazole-4-carbonyl)-amino]-acetic acid

Product 1

HCID 57874416HCID 57874416, compound

Sources & evidence

ORD record
ord-b3b4136606d245e8ba84d9c186de07ad
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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