Hydrochloric Acid → HCID 178453696, compound

HRID 672935Notes

Reaction equation

HRID 672935 reaction equation
[CH3:32][C:33]([CH3:34])([O:35][C:36](=[O:37])[NH:38][CH2:39][CH:40]([NH2:41])[C:42](=[O:43])[OH:44])[CH3:45].[CH3:81][N:82]([CH3:83])[CH:84]=[O:85].[CH:1]([N:2]([CH:3]([CH3:4])[CH3:5])[CH2:6][CH3:7])([CH3:8])[CH3:9].[Cl:10][c:11]1[c:12]([C:13](=[O:14])[OH:15])[c:16]([Cl:31])[cH:17][c:18]([C:20](=[O:21])[NH:22][CH2:23][c:24]2[cH:25][c:26]([OH:30])[cH:27][cH:28][cH:29]2)[cH:19]1.[ClH:46].[OH:47][n:48]1[c:49]2[c:50]([cH:51][cH:52][cH:53][cH:54]2)[n:55][n:56]1.[P-:57]([F:58])([F:59])([F:60])([F:61])([F:62])[F:63].[n:64]1([O:65][C:66]([N:67]([CH3:68])[CH3:69])=[N+:70]([CH3:71])[CH3:72])[c:73]2[cH:74][cH:75][cH:76][cH:77][c:78]2[n:79][n:80]1>>[Cl:10][c:11]1[c:12]([C:13](=[O:15])[NH:41][CH:40]([CH2:39][NH:38][C:36]([O:35][C:33]([CH3:32])([CH3:34])[CH3:45])=[O:37])[C:42](=[O:43])[OH:44])[c:16]([Cl:31])[cH:17][c:18]([C:20](=[O:21])[NH:22][CH2:23][c:24]2[cH:25][c:26]([OH:30])[cH:27][cH:28][cH:29]2)[cH:19]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 36648412-Amino-3-{[(tert-butoxy)carbonyl]amino}propanoic acidHCID 226615502,6-Dichloro-4-[[(3-hydroxybenzyl)amino]carbonyl]benzoic acid

Product 1

HCID 178453696HCID 178453696, compound

Sources & evidence

ORD record
ord-69e875dbe435446580b52ac34d0d713a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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