Hydrochloric Acid → HCID 178428795, compound

HRID 312219Notes

Reaction equation

HRID 312219 reaction equation
[C-:53]#[N:54].[CH3:28][N:29]([CH3:30])[CH2:31][CH2:32][CH2:33][N:34]=[C:35]=[N:36][CH2:37][CH3:38].[CH3:40][CH2:41][N:42]([CH2:43][CH3:44])[CH2:45][CH3:46].[CH3:47][C:48]([CH3:49])([OH:50])[C:51]#[N:52].[CH3:56][C:57]#[N:58].[CH:1]1([c:4]2[n:5][n:6]([CH3:10])[c:7]([OH:9])[cH:8]2)[CH2:2][CH2:3]1.[Cl:11][c:12]1[c:13]([S:22][CH2:23][CH:24]2[CH2:25][CH2:26]2)[c:14]([CH3:21])[c:15]([C:16](=[O:17])[OH:18])[cH:19][cH:20]1.[Cl:59][CH2:60][Cl:61].[ClH:27].[ClH:39].[K+:55]>>[CH:1]1([c:4]2[n:5][n:6]([CH3:10])[c:7]([OH:9])[c:8]2[C:16]([c:15]2[c:14]([CH3:21])[c:13]([S:22][CH2:23][CH:24]3[CH2:25][CH2:26]3)[c:12]([Cl:11])[cH:20][cH:19]2)=[O:17])[CH2:2][CH2:3]1

Participants

11

Reactant 10

HCID 313Hydrochloric Acid2×HCID 813Potassium CationHCID 5975CyanideHCID 6342AcetonitrileHCID 6344DichloromethaneHCID 6406Acetone CyanohydrinHCID 8471TriethylamineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 671589234-Chloro-3-cyclopropylmethylthio-2-methylbenzoic acidHCID 178481725HCID 178481725, compound

Product 1

HCID 178428795HCID 178428795, compound

Sources & evidence

ORD record
ord-31ed6279c0374a3dbd5d712a22b2e561
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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