Hydrogen Bromide → HCID 178523238, compound

HRID 2145295Notes

Reaction equation

HRID 2145295 reaction equation
[BrH:22].[CH2:23]([c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1)[O:30][C:31](=[O:32])[c:33]1[n:34][cH:35][o:36][c:37]1[CH2:38][CH2:39][NH2:40].[CH2:53]([N:54]=[C:55]=[N:56][CH2:57][CH2:58][CH2:59][N:60]([CH3:61])[CH3:62])[CH3:63].[CH3:64][CH2:65][N:66]([CH2:67][CH3:68])[CH2:69][CH3:70].[CH3:71][N:72]([CH3:73])[CH:74]=[O:75].[ClH:52].[OH2:41].[OH:42][n:43]1[c:44]2[cH:45][cH:46][cH:47][cH:48][c:49]2[n:50][n:51]1.[s:1]1[c:2]([CH2:6][CH:7]([C:8](=[O:9])[OH:10])[NH:11][C:12](=[O:13])[O:14][CH2:15][c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[cH:3][cH:4][cH:5]1>>[s:1]1[c:2]([CH2:6][CH:7]([C:8](=[O:10])[NH:40][CH2:39][CH2:38][c:37]2[c:33]([C:31]([O:30][CH2:23][c:24]3[cH:25][cH:26][cH:27][cH:28][cH:29]3)=[O:32])[n:34][cH:35][o:36]2)[NH:11][C:12](=[O:13])[O:14][CH2:15][c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[cH:3][cH:4][cH:5]1

Participants

10

Reactant 9

HCID 260Hydrogen BromideHCID 313Hydrochloric AcidHCID 962WaterHCID 6228DimethylformamideHCID 8471TriethylamineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 128068302-{[(Benzyloxy)carbonyl]amino}-3-(thiophen-2-yl)propanoic acidHCID 15228254HCID 15228254, compound

Product 1

HCID 178523238HCID 178523238, compound

Sources & evidence

ORD record
ord-5d992afe90dd42c0a38afe53374c1d2d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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