Hydrochloric Acid → HCID 178489491, compound

HRID 2161812Notes

Reaction equation

HRID 2161812 reaction equation
[C:1]([Si:2]([CH3:4])([CH3:5])[O:8][CH2:9][c:10]1[c:11]([N:19]=[C:20]=[S:3])[cH:12][cH:13][c:14]([N+:16](=[O:17])[O-:18])[cH:15]1)([CH3:6])([CH3:7])[CH3:21].[CH2:36]([N+:37]([CH2:38][CH2:39][CH2:40][CH3:41])([CH2:42][CH2:43][CH2:44][CH3:45])[CH2:46][CH2:47][CH2:48][CH3:49])[CH2:50][CH2:51][CH3:52].[CH3:22][O:23][c:24]1[c:25]([CH2:26][NH2:27])[cH:28][cH:29][cH:30][cH:31]1.[CH3:54][N:55]([CH3:56])[CH2:57][CH2:58][CH2:59][N:60]=[C:61]=[N:62][CH2:63][CH3:64].[CH3:65][N:66]([CH3:67])[CH2:68][CH2:69][CH2:70][NH:71][C:72]([NH:73][CH2:74][CH3:75])=[S:76].[CH3:77][C:78]#[N:79].[CH3:80][CH2:81][O:82][C:83](=[O:84])[CH3:85].[ClH:53].[F-:35].[OH2:32].[OH2:33].[OH2:34].[OH2:86]>>[O:8]1[CH2:9][c:10]2[c:11]([cH:12][cH:13][c:14]([N+:16](=[O:17])[O-:18])[cH:15]2)[N:19]=[C:20]1[NH:27][CH2:26][c:25]1[c:24]([O:23][CH3:22])[cH:31][cH:30][cH:29][cH:28]1

Participants

11

Reactant 10

HCID 313Hydrochloric AcidHCID 962Water4×HCID 6342AcetonitrileHCID 8857Ethyl AcetateHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 16028TetrabutylammoniumHCID 28179Fluoride IonHCID 812922-MethoxybenzylamineHCID 14633811N-[3-(Dimethylamino)propyl]-N'-ethylthioureaHCID 46855450tert-Butyl-(2-isothiocyanato-5-nitro-benzyloxy)-dimethyl-silane

Product 1

HCID 178489491HCID 178489491, compound

Sources & evidence

ORD record
ord-5446195c2fbb4f199bf3223f5886630f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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