Hydrochloric Acid → Cyclopropanesulfonic acid [2-(3-chloro-5-morpholin-4-yl-phenyl)-3,3-dimethyl-1,2,3,4-tetrahydro-quinoline-6-carbonyl]-amide

HRID 100207Notes

Reaction equation

HRID 100207 reaction equation
[CH3:30][N:31]([CH3:32])[CH2:33][CH2:34][CH2:35][N:36]=[C:37]=[N:38][CH2:39][CH3:40].[CH3:48][N:49]([CH3:50])[c:51]1[cH:52][cH:53][n:54][cH:55][cH:56]1.[CH:41]1([S:44](=[O:45])(=[O:46])[NH2:47])[CH2:42][CH2:43]1.[Cl:1][c:2]1[cH:3][c:4]([CH:14]2[NH:15][c:16]3[cH:17][cH:18][c:19]([C:26](=[O:27])[OH:28])[cH:20][c:21]3[CH2:22][C:23]2([CH3:24])[CH3:25])[cH:5][c:6]([N:8]2[CH2:9][CH2:10][O:11][CH2:12][CH2:13]2)[cH:7]1.[Cl:57][CH2:58][Cl:59].[ClH:29]>>[Cl:1][c:2]1[cH:3][c:4]([CH:14]2[NH:15][c:16]3[cH:17][cH:18][c:19]([C:26](=[O:27])[NH:47][S:44]([CH:41]4[CH2:42][CH2:43]4)(=[O:45])=[O:46])[cH:20][c:21]3[CH2:22][C:23]2([CH3:24])[CH3:25])[cH:5][c:6]([N:8]2[CH2:9][CH2:10][O:11][CH2:12][CH2:13]2)[cH:7]1

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 142844-(Dimethylamino)pyridineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 15765418CyclopropanesulfonamideHCID 534927082-(3-Chloro-5-morpholin-4-yl-phenyl)-3,3-dimethyl-1,2,3,4-tetrahydro-quinoline-6-carboxylic acid

Product 1

HCID 53492709Cyclopropanesulfonic acid [2-(3-chloro-5-morpholin-4-yl-phenyl)-3,3-dimethyl-1,2,3,4-tetrahydro-quinoline-6-carbonyl]-amide

Sources & evidence

ORD record
ord-541dee53003d43aa92718f13108f86cd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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