Dichloromethane → HCID 178451049, compound

HRID 1223256Notes

Reaction equation

HRID 1223256 reaction equation
[C:35]([CH3:36])([CH3:37])([CH3:38])[O:39][C:40]([CH2:41][N:42]([C:43]([CH2:44][n:45]1[c:46]([CH2:50][N:51]([CH2:52][CH2:53][CH2:54][CH2:55][CH2:56][CH2:57][CH2:58][CH2:59][CH2:60][CH2:61][C:62](=[O:63])[OH:64])[CH2:65][c:66]2[n:67]([CH2:71][C:72]([N:73]([CH2:74][C:75]([O:76][C:77]([CH3:78])([CH3:79])[CH3:80])=[O:81])[CH2:82][C:83]([O:84][C:85]([CH3:86])([CH3:87])[CH3:88])=[O:89])=[O:90])[cH:68][cH:69][n:70]2)[n:47][cH:48][cH:49]1)=[O:91])[CH2:92][C:93]([O:94][C:95]([CH3:96])([CH3:97])[CH3:98])=[O:99])=[O:100].[CH3:101][CH2:102][N:103]=[C:104]=[N:105][CH2:106][CH2:107][CH2:108][N:109]([CH3:110])[CH3:111].[CH:122]([N:123]([CH2:124][CH3:125])[CH:126]([CH3:127])[CH3:128])([CH3:129])[CH3:130].[Cl:131][CH2:132][Cl:133].[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:112][n:113]1[c:114]2[c:115]([cH:116][cH:117][cH:118][cH:119]2)[n:120][n:121]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:62]([CH2:61][CH2:60][CH2:59][CH2:58][CH2:57][CH2:56][CH2:55][CH2:54][CH2:53][CH2:52][N:51]([CH2:50][c:46]1[n:45]([CH2:44][C:43]([N:42]([CH2:41][C:40]([O:39][C:35]([CH3:36])([CH3:37])[CH3:38])=[O:100])[CH2:92][C:93]([O:94][C:95]([CH3:96])([CH3:97])[CH3:98])=[O:99])=[O:91])[cH:49][cH:48][n:47]1)[CH2:65][c:66]1[n:67]([CH2:71][C:72]([N:73]([CH2:74][C:75]([O:76][C:77]([CH3:78])([CH3:79])[CH3:80])=[O:81])[CH2:82][C:83]([O:84][C:85]([CH3:86])([CH3:87])[CH3:88])=[O:89])=[O:90])[cH:68][cH:69][n:70]1)=[O:63]

Participants

7

Reactant 6

HCID 6344DichloromethaneHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 7156164611-(bis((1-(2-(bis(2-tert-butoxy-2-oxoethyl)amino)-2-oxoethyl)-1H-imidazol-2-yl)methyl)amino)undecanoic acidHCID 744053812-[3-(5-Amino-1-tert-butoxycarbonyl-pentyl)-ureido]-pentanedioic acid di-tert-butyl ester

Product 1

HCID 178451049HCID 178451049, compound

Sources & evidence

ORD record
ord-62e614ad92624bd9b97037d872775f2d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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