1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide → HCID 178440932, compound

HRID 2347112Notes

Reaction equation

HRID 2347112 reaction equation
[C:12]([CH3:13])([CH3:14])([CH3:15])[c:16]1[cH:17][c:18]([NH:22][C:23]([c:24]2[cH:25][n:26][c:27]([N:30]3[CH2:31][CH2:32][NH:33][CH2:34][CH2:35]3)[cH:28][cH:29]2)=[O:36])[cH:19][cH:20][cH:21]1.[CH3:1][CH2:2][N:3]=[C:4]=[N:5][CH2:6][CH2:7][CH2:8][N:9]([CH3:10])[CH3:11].[CH3:48][O:49][C:50]([CH:51]1[CH2:52][CH2:53][CH:54]([C:55]([N:56]2[CH2:57][CH2:58][N:59]([c:60]3[cH:61][cH:62][c:63]([C:64](=[O:65])[NH:66][c:67]4[cH:68][cH:69][cH:70][c:71]([C:72]([CH3:73])([CH3:74])[CH3:75])[cH:76]4)[cH:77][n:78]3)[CH2:79][CH2:80]2)=[O:81])[CH2:82][CH2:83]1)=[O:84].[OH:37][c:38]1[n:39][o:40][c:41]([CH2:43][CH2:44][C:45](=[O:46])[OH:47])[cH:42]1>>[C:12]([CH3:13])([CH3:14])([CH3:15])[c:16]1[cH:17][c:18]([NH:22][C:23]([c:24]2[cH:25][n:26][c:27]([N:30]3[CH2:31][CH2:32][N:33]([C:45]([CH2:44][CH2:43][c:41]4[o:40][n:39][c:38]([OH:37])[cH:42]4)=[O:46])[CH2:34][CH2:35]3)[cH:28][cH:29]2)=[O:36])[cH:19][cH:20][cH:21]1

Participants

5

Reactant 4

HCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 593180854-{4-[5-(3-tert-Butyl-phenylcarbamoyl)-pyridin-2-yl]-piperazine-1-carbonyl}-cyclohexanecarboxylic acid methyl esterHCID 59318114N-(3-tert-Butyl-phenyl)-6-piperazin-1-yl-nicotinamideHCID 1785253353-(3-Hydroxy-5-isoxazolyl)propanoic acid

Product 1

HCID 178440932HCID 178440932, compound

Sources & evidence

ORD record
ord-d422a630ed9e46559da14cb2f35d16aa
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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