Dichloromethane → HCID 72274920, compound
Reaction equation
[C:35]([CH3:36])([CH3:37])([CH3:38])[O:39][C:40]([CH2:41][N:42]([CH2:43][CH2:44][CH2:45][CH2:46][CH2:47][CH2:48][CH2:49][CH2:50][CH2:51][CH2:52][C:53](=[O:54])[OH:55])[CH2:56][c:57]1[n:58]([CH2:62][C:63](=[O:64])[O:65][C:66]([CH3:67])([CH3:68])[CH3:69])[cH:59][cH:60][n:61]1)=[O:70].[CH3:71][CH2:72][N:73]=[C:74]=[N:75][CH2:76][CH2:77][CH2:78][N:79]([CH3:80])[CH3:81].[CH:92]([N:93]([CH2:94][CH3:95])[CH:96]([CH3:97])[CH3:98])([CH3:99])[CH3:100].[Cl:101][CH2:102][Cl:103].[NH2:1][CH2:2][CH2:3][CH2:4][CH2:5][CH:6]([C:7](=[O:8])[O:9][C:10]([CH3:11])([CH3:12])[CH3:13])[NH:14][C:15]([NH:16][CH:17]([C:18](=[O:19])[O:20][C:21]([CH3:22])([CH3:23])[CH3:24])[CH2:25][CH2:26][C:27](=[O:28])[O:29][C:30]([CH3:31])([CH3:32])[CH3:33])=[O:34].[OH:82][n:83]1[c:84]2[c:85]([cH:86][cH:87][cH:88][cH:89]2)[n:90][n:91]1>>[NH:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH:6]([C:7](=[O:8])[O:9][C:10]([CH3:11])([CH3:12])[CH3:13])[NH:14][C:15]([NH:16][CH:17]([C:18](=[O:19])[O:20][C:21]([CH3:22])([CH3:23])[CH3:24])[CH2:25][CH2:26][C:27](=[O:28])[O:29][C:30]([CH3:31])([CH3:32])[CH3:33])=[O:34])[C:53]([CH2:52][CH2:51][CH2:50][CH2:49][CH2:48][CH2:47][CH2:46][CH2:45][CH2:44][CH2:43][N:42]([CH2:41][C:40]([O:39][C:35]([CH3:36])([CH3:37])[CH3:38])=[O:70])[CH2:56][c:57]1[n:58]([CH2:62][C:63](=[O:64])[O:65][C:66]([CH3:67])([CH3:68])[CH3:69])[cH:59][cH:60][n:61]1)=[O:54]Participants
7
Reactant 6
HCID 6344Dichloromethane
HCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide
HCID 757711-Hydroxybenzotriazole
HCID 81531Diisopropylethylamine
HCID 5940422711-((2-tert-butoxy-2-oxoethyl)((1-(2-tert-butoxy-2-oxoethyl)-1H-imidazol-2-yl)methyl)amino)undecanoic acid
HCID 744053812-[3-(5-Amino-1-tert-butoxycarbonyl-pentyl)-ureido]-pentanedioic acid di-tert-butyl esterProduct 1
Sources & evidence
- ORD record
- ord-ec0387b202174ce19bbf76101423e547
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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