Hydrochloric Acid → HCID 68323575, compound

HRID 103814Notes

Reaction equation

HRID 103814 reaction equation
[C:29](=[O:30])([O-:31])[O-:32].[C:2]([NH2:3])(=[NH:4])[c:5]1[cH:6][cH:7][c:8]([CH2:11][NH:12][C:13](=[O:14])[c:15]2[c:16]([CH3:28])[n:17](-[c:21]3[cH:22][cH:23][c:24]([F:27])[cH:25][cH:26]3)[c:18]([CH3:20])[cH:19]2)[cH:9][cH:10]1.[Cl:35][C:36](=[O:37])[O:38][CH2:39][CH3:40].[ClH:1].[K+:33].[K+:34].[O:42]1[CH2:43][CH2:44][CH2:45][CH2:46]1.[OH2:41]>>[C:2](=[N:3][C:36](=[O:37])[O:38][CH2:39][CH3:40])([NH2:4])[c:5]1[cH:6][cH:7][c:8]([CH2:11][NH:12][C:13](=[O:14])[c:15]2[c:16]([CH3:28])[n:17](-[c:21]3[cH:22][cH:23][c:24]([F:27])[cH:25][cH:26]3)[c:18]([CH3:20])[cH:19]2)[cH:9][cH:10]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 813Potassium Cation2×HCID 962WaterHCID 8028TetrahydrofuranHCID 10928Ethyl chloroformateHCID 19660Carbonate IonHCID 53258557N-[(4-carbamimidoylphenyl)methyl]-1-(4-fluorophenyl)-2,5-dimethyl-pyrrole-3-carboxamide

Product 1

HCID 68323575HCID 68323575, compound

Sources & evidence

ORD record
ord-f6fa2114542b43fb9774d291df2bc1a8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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