Hydrochloric Acid → HCID 69995934, compound

HRID 2146596Notes

Reaction equation

HRID 2146596 reaction equation
[CH3:44][S:45](=[O:46])[CH3:47].[CH:1]1([n:4]2[cH:5][c:6]([C:28](=[O:29])[OH:30])[c:7](=[O:27])[c:8]3[cH:9][c:10]([F:26])[c:11](-[c:14]4[c:15]([O:24][CH3:25])[c:16]([O:22][CH3:23])[cH:17][c:18]([CH:20]=[O:21])[cH:19]4)[cH:12][c:13]23)[CH2:2][CH2:3]1.[ClH:43].[NH:31]([c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1)[CH2:38][CH2:39][C:40]#[N:41].[OH2:42]>>[CH:1]1([n:4]2[cH:5][c:6]([C:28](=[O:29])[OH:30])[c:7](=[O:27])[c:8]3[cH:9][c:10]([F:26])[c:11](-[c:14]4[c:15]([O:24][CH3:25])[c:16]([O:22][CH3:23])[cH:17][c:18]([CH2:20][C:39](=[CH:38][NH:31][c:32]5[cH:33][cH:34][cH:35][cH:36][cH:37]5)[C:40]#[N:41])[cH:19]4)[cH:12][c:13]23)[CH2:2][CH2:3]1

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 679Dimethyl SulfoxideHCID 962WaterHCID 141003-AnilinopropionitrileHCID 19081730HCID 19081730, compound

Product 1

HCID 69995934HCID 69995934, compound

Sources & evidence

ORD record
ord-55430c1a2a024c57ab403dfa6e3b91b3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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