Hydrochloric Acid → HCID 25017297, compound

HRID 1553398Notes

Reaction equation

HRID 1553398 reaction equation
[C:36](=[O:37])([O-:38])[O-:39].[CH3:42][S:43]([CH3:44])=[O:45].[CH3:46][N:47]1[CH2:48][CH2:49][CH2:50][C:51]1=[O:52].[CH3:54][CH2:55][O:56][C:57]([CH3:58])=[O:59].[Cl:1][c:2]1[cH:3][c:4](-[c:8]2[cH:9][c:10]3[c:11](=[O:26])[n:12](-[c:17]4[cH:18][c:19]5[cH:20][n:21][nH:22][c:23]5[cH:24][cH:25]4)[cH:13][cH:14][c:15]3[o:16]2)[cH:5][cH:6][cH:7]1.[Cl:28][CH2:29][CH2:30][N:31]1[CH2:32][CH2:33][CH2:34][CH2:35]1.[ClH:27].[Cs+:40].[Cs+:41].[OH2:53]>>[Cl:1][c:2]1[cH:3][c:4](-[c:8]2[cH:9][c:10]3[c:11](=[O:26])[n:12](-[c:17]4[cH:18][c:19]5[cH:20][n:21][n:22]([CH2:29][CH2:30][N:31]6[CH2:32][CH2:33][CH2:34][CH2:35]6)[c:23]5[cH:24][cH:25]4)[cH:13][cH:14][c:15]3[o:16]2)[cH:5][cH:6][cH:7]1

Participants

10

Reactant 9

HCID 313Hydrochloric AcidHCID 679Dimethyl SulfoxideHCID 962WaterHCID 8857Ethyl AcetateHCID 13387N-methyl-2-pyrrolidoneHCID 19660Carbonate IonHCID 816691-(2-Chloroethyl)pyrrolidineHCID 104967Cesium cation2×HCID 58015549HCID 58015549, compound

Product 1

HCID 25017297HCID 25017297, compound

Sources & evidence

ORD record
ord-a8b0161b1c2f4014871830a9be6a2967
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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