Hydrochloric Acid → HCID 11635624, compound

HRID 124533Notes

Reaction equation

HRID 124533 reaction equation
[CH2:63]([N:64]=[C:65]=[N:66][CH2:67][CH2:68][CH2:69][N:70]([CH3:71])[CH3:72])[CH3:73].[CH3:1][S:2](=[O:3])(=[O:4])[OH:5].[CH3:39][N:40]1[CH2:41][c:42]2[c:43]([n:46][c:47]([C:49]([OH:50])=[O:51])[s:48]2)[CH2:44][CH2:45]1.[CH3:74][C:75]#[N:76].[CH3:78][CH2:79][N:80]([CH2:81][CH3:82])[CH2:83][CH3:84].[Cl:6][c:7]1[cH:8][cH:9][c:10]([NH:13][C:14]([C:15](=[O:16])[NH:17][CH:18]2[CH:19]([NH:29][C:30]([O:31][C:33]([CH3:34])([CH3:35])[CH3:36])=[O:32])[CH2:20][CH:21]([C:24](=[O:25])[N:26]([CH3:27])[CH3:28])[CH2:22][CH2:23]2)=[O:37])[n:11][cH:12]1.[ClH:38].[ClH:62].[OH2:77].[OH:52][n:53]1[c:54]2[cH:55][cH:56][cH:57][cH:58][c:59]2[n:60][n:61]1>>[Cl:6][c:7]1[cH:8][cH:9][c:10]([NH:13][C:14]([C:15](=[O:16])[NH:17][CH:18]2[CH:19]([NH:29][C:30](=[O:31])[c:47]3[n:46][c:43]4[c:42]([s:48]3)[CH2:41][N:40]([CH3:39])[CH2:45][CH2:44]4)[CH2:20][CH:21]([C:24](=[O:25])[N:26]([CH3:27])[CH3:28])[CH2:22][CH2:23]2)=[O:37])[n:11][cH:12]1

Participants

10

Reactant 9

HCID 313Hydrochloric Acid2×HCID 962WaterHCID 6342AcetonitrileHCID 6395Methanesulfonic AcidHCID 8471TriethylamineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 111490325-Methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine-2-carboxylic acidHCID 75251486HCID 75251486, compound

Product 1

HCID 11635624HCID 11635624, compound

Sources & evidence

ORD record
ord-907d5b07d54e44d9ab12413636f01b81
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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