Hydrochloric Acid → HCID 77568687, compound

HRID 297596Notes

Reaction equation

HRID 297596 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([C:10](=[O:11])[OH:12])[CH2:13][CH2:14][CH2:15]1.[CH3:17][N:18]([CH3:19])[CH2:20][CH2:21][CH2:22][N:23]=[C:24]=[N:25][CH2:26][CH3:27].[CH:39]([N:40]([CH2:41][CH3:42])[CH:43]([CH3:44])[CH3:45])([CH3:46])[CH3:47].[ClH:16].[F:48][C:49]([F:50])([F:51])[C:52]([OH:53])=[O:54].[NH2:55][CH:56]([CH3:57])[C:58](=[O:59])[O:60][CH2:61][CH2:62][O:63][c:64]1[cH:65][cH:66][c:67](-[c:70]2[c:71]([C:97]#[N:98])[c:72]([S:83][CH2:84][c:85]3[n:86][c:87](-[c:90]4[cH:91][cH:92][c:93]([Cl:96])[cH:94][cH:95]4)[s:88][cH:89]3)[n:73][c:74]([N:78]3[CH2:79][CH2:80][CH2:81][CH2:82]3)[c:75]2[C:76]#[N:77])[cH:68][cH:69]1.[O:99]=[CH:100][N:101]([CH3:102])[CH3:103].[OH2:28].[OH:29][n:30]1[c:31]2[cH:32][cH:33][cH:34][cH:35][c:36]2[n:37][n:38]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([C:10](=[O:12])[NH:55][CH:56]([CH3:57])[C:58](=[O:59])[O:60][CH2:61][CH2:62][O:63][c:64]2[cH:65][cH:66][c:67](-[c:70]3[c:71]([C:97]#[N:98])[c:72]([S:83][CH2:84][c:85]4[n:86][c:87](-[c:90]5[cH:91][cH:92][c:93]([Cl:96])[cH:94][cH:95]5)[s:88][cH:89]4)[n:73][c:74]([N:78]4[CH2:79][CH2:80][CH2:81][CH2:82]4)[c:75]3[C:76]#[N:77])[cH:68][cH:69]2)[CH2:13][CH2:14][CH2:15]1

Participants

10

Reactant 9

HCID 313Hydrochloric AcidHCID 962WaterHCID 6228DimethylformamideHCID 6422Trifluoroacetic acidHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 2684721-[(Tert-butoxy)carbonyl]pyrrolidine-2-carboxylic acidHCID 77568923HCID 77568923, compound

Product 1

HCID 77568687HCID 77568687, compound

Sources & evidence

ORD record
ord-49c0a2be12624d33980c4120c9a0c99a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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