Hydrochloric Acid → HCID 18399283, compound

HRID 2319913Notes

Reaction equation

HRID 2319913 reaction equation
[C:68](=[O:69])([O-:70])[O-:71].[CH3:21][N:22]([CH3:23])[CH2:24][CH2:25][CH2:26][N:27]=[C:28]=[N:29][CH2:30][CH3:31].[CH3:74][C:75]#[N:76].[CH3:77][N:78]([CH3:79])[CH:80]=[O:81].[CH3:82][CH2:83][O:84][C:85](=[O:86])[CH3:87].[ClH:20].[K+:72].[K+:73].[OH2:88].[OH2:9].[OH:10][n:11]1[c:12]2[cH:13][cH:14][cH:15][cH:16][c:17]2[n:18][n:19]1.[OH:32][c:33]1[c:34]([O:66][CH3:67])[cH:35][c:36]2[c:37](-[c:54]3[cH:55][c:56]([O:64][CH3:65])[c:57]([O:62][CH3:63])[c:58]([O:60][CH3:61])[cH:59]3)[c:38]([C:50](=[O:51])[O:52][CH3:53])[n:39](-[c:44]3[cH:45][cH:46][cH:47][cH:48][cH:49]3)[c:40](=[O:43])[c:41]2[cH:42]1.[nH:1]1[c:2]([C:6](=[O:7])[OH:8])[cH:3][cH:4][cH:5]1>>[nH:1]1[c:2]([C:6]([O:7][c:33]2[c:34]([O:66][CH3:67])[cH:35][c:36]3[c:37](-[c:54]4[cH:55][c:56]([O:64][CH3:65])[c:57]([O:62][CH3:63])[c:58]([O:60][CH3:61])[cH:59]4)[c:38]([C:50](=[O:51])[O:52][CH3:53])[n:39](-[c:44]4[cH:45][cH:46][cH:47][cH:48][cH:49]4)[c:40](=[O:43])[c:41]3[cH:42]2)=[O:8])[cH:3][cH:4][cH:5]1

Participants

12

Reactant 11

HCID 313Hydrochloric AcidHCID 813Potassium Cation2×HCID 962Water2×HCID 6228DimethylformamideHCID 6342AcetonitrileHCID 8857Ethyl AcetateHCID 12473Pyrrole-2-Carboxylic AcidHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 19660Carbonate IonHCID 757711-HydroxybenzotriazoleHCID 18398823HCID 18398823, compound

Product 1

HCID 18399283HCID 18399283, compound

Sources & evidence

ORD record
ord-e196940db3604fbaa64bfd618f8e2171
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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