Hydrochloric Acid → HCID 11548519, compound

HRID 139690Notes

Reaction equation

HRID 139690 reaction equation
[C:8](=[O:9])([O-:10])[O-:11].[Cl:14][c:15]1[cH:16][c:17](-[c:22]2[cH:23][c:24]([N:34]3[CH2:35][CH2:36][N:37]([c:40]4[c:41]([CH3:47])[cH:42][c:43]([OH:46])[cH:44][n:45]4)[CH2:38][CH2:39]3)[n:25][c:26]([N:28]3[CH:29]([CH3:33])[CH2:30][CH2:31][CH2:32]3)[n:27]2)[cH:18][cH:19][c:20]1[F:21].[Cl:2][CH2:3][CH2:4][N:5]([CH3:6])[CH3:7].[ClH:1].[Cs+:12].[Cs+:13].[I-:48].[Na+:49].[O:50]=[CH:51][N:52]([CH3:53])[CH3:54]>>[CH2:3]([CH2:4][N:5]([CH3:6])[CH3:7])[O:46][c:43]1[cH:42][c:41]([CH3:47])[c:40]([N:37]2[CH2:36][CH2:35][N:34]([c:24]3[cH:23][c:22](-[c:17]4[cH:16][c:15]([Cl:14])[c:20]([F:21])[cH:19][cH:18]4)[n:27][c:26]([N:28]4[CH:29]([CH3:33])[CH2:30][CH2:31][CH2:32]4)[n:25]3)[CH2:39][CH2:38]2)[n:45][cH:44]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 923Sodium ionHCID 6228DimethylformamideHCID 79012-Chloro-N,N-dimethylethylamineHCID 19660Carbonate IonHCID 30165Iodide IonHCID 104967Cesium cation2×HCID 57761731HCID 57761731, compound

Product 1

HCID 11548519HCID 11548519, compound

Sources & evidence

ORD record
ord-bbed5184e1ce4f6bb8eaeda734139320
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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