Hydrochloric Acid → HCID 178488601, compound

HRID 1143515Notes

Reaction equation

HRID 1143515 reaction equation
[C:43](=[O:44])([O-:45])[O-:46].[CH2:1]([O:2][C:4]([C:5]([CH2:6][CH2:7][CH2:8][Cl:3])=[CH:10][c:11]1[cH:12][c:13]([O:23][CH3:24])[c:14](-[n:17]2[cH:18][n:19][c:20]([CH3:22])[cH:21]2)[cH:15][cH:16]1)=[O:25])[CH3:9].[CH3:51][C:52]#[N:53].[ClH:26].[ClH:27].[F:28][c:29]1[cH:30][c:31]([CH2:32][N:33]2[CH2:34][CH:35]([NH2:38])[CH2:36][CH2:37]2)[cH:39][cH:40][c:41]1[F:42].[I-:50].[K+:47].[K+:48].[Na+:49].[OH2:54]>>[C:4]1(=[O:25])[C:5](=[CH:10][c:11]2[cH:12][c:13]([O:23][CH3:24])[c:14](-[n:17]3[cH:18][n:19][c:20]([CH3:22])[cH:21]3)[cH:15][cH:16]2)[CH2:6][CH2:7][CH2:8][N:38]1[CH:35]1[CH2:34][N:33]([CH2:32][c:31]2[cH:30][c:29]([F:28])[c:41]([F:42])[cH:40][cH:39]2)[CH2:37][CH2:36]1

Participants

10

Reactant 9

HCID 313Hydrochloric Acid2×HCID 813Potassium Cation2×HCID 923Sodium ionHCID 962WaterHCID 6342AcetonitrileHCID 19660Carbonate IonHCID 30165Iodide IonHCID 24904778HCID 24904778, compoundHCID 66960128HCID 66960128, compound

Product 1

HCID 178488601HCID 178488601, compound

Sources & evidence

ORD record
ord-ee6efb2af12545139ea7718b1e22b78e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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