Hydrochloric Acid → HCID 23152752, compound

HRID 1550495Notes

Reaction equation

HRID 1550495 reaction equation
[C:68](=[O:69])([O-:70])[OH:71].[CH2:40]([N:41]=[C:42]=[N:43][CH2:44][CH2:45][CH2:46][N:47]([CH3:48])[CH3:49])[CH3:50].[CH3:61][CH2:62][N:63]([CH2:64][CH3:65])[CH2:66][CH3:67].[CH3:73][N:74]([CH3:75])[CH:76]=[O:77].[CH3:79][OH:80].[CH:1]1([c:7]2[c:8]3[c:9]([n:10]4[c:16]2-[c:15]2[c:14]([cH:20][c:19]([O:21][CH3:22])[cH:18][cH:17]2)[O:13][CH2:12][CH2:11]4)[cH:23][c:24]([C:27](=[O:28])[OH:29])[cH:25][cH:26]3)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[ClH:30].[ClH:39].[NH2:31][C:32]([C:33](=[O:34])[O:35][CH3:36])([CH3:37])[CH3:38].[Na+:72].[OH2:78].[OH:51][n:52]1[c:53]2[cH:54][cH:55][cH:56][cH:57][c:58]2[n:59][n:60]1>>[CH:1]1([c:7]2[c:8]3[c:9]([n:10]4[c:16]2-[c:15]2[c:14]([cH:20][c:19]([O:21][CH3:22])[cH:18][cH:17]2)[O:13][CH2:12][CH2:11]4)[cH:23][c:24]([C:27](=[O:28])[NH:31][C:32]([C:33](=[O:34])[O:35][CH3:36])([CH3:37])[CH3:38])[cH:25][cH:26]3)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1

Participants

12

Reactant 11

HCID 313Hydrochloric Acid2×HCID 769Bicarbonate IonHCID 887MethanolHCID 923Sodium ionHCID 962WaterHCID 6228DimethylformamideHCID 8471TriethylamineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 4186341Methyl 2-amino-2-methylpropanoateHCID 23152347HCID 23152347, compound

Product 1

HCID 23152752HCID 23152752, compound

Sources & evidence

ORD record
ord-f51bc2399c9140b89c119a5618e75c45
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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