Hydrochloric Acid → HCID 53250431, compound

HRID 153141Notes

Reaction equation

HRID 153141 reaction equation
[CH2:30]1[CH2:31][O:32][CH2:33][CH2:34][NH:35]1.[CH3:36][N:37]1[CH2:38][CH2:39][O:40][CH2:41][CH2:42]1.[CH3:55][N:56]([CH3:57])[CH2:58][CH2:59][CH2:60][N:61]=[C:62]=[N:63][CH2:64][CH3:65].[CH3:69][N:70]([CH3:71])[CH:72]=[O:73].[CH3:74][CH2:75][O:76][C:77](=[O:78])[CH3:79].[CH:1]1([CH2:6][CH:7]([c:8]2[cH:9][cH:10][c:11]([S:14](=[O:15])(=[O:16])[CH3:17])[cH:12][cH:13]2)[c:18]2[cH:19][c:20]3[c:21]([n:22][cH:23][c:24]([C:26](=[O:27])[OH:28])[cH:25]3)[nH:29]2)[CH2:2][CH2:3][CH2:4][CH2:5]1.[Cl:66][CH2:67][Cl:68].[ClH:54].[OH2:43].[OH:44][n:45]1[c:46]2[cH:47][cH:48][cH:49][cH:50][c:51]2[n:52][n:53]1>>[CH:1]1([CH2:6][CH:7]([c:8]2[cH:9][cH:10][c:11]([S:14](=[O:15])(=[O:16])[CH3:17])[cH:12][cH:13]2)[c:18]2[cH:19][c:20]3[c:21]([n:22][cH:23][c:24]([C:26](=[O:27])[N:35]4[CH2:30][CH2:31][O:32][CH2:33][CH2:34]4)[cH:25]3)[nH:29]2)[CH2:2][CH2:3][CH2:4][CH2:5]1

Participants

11

Reactant 10

HCID 313Hydrochloric AcidHCID 962WaterHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 79724-MethylmorpholineHCID 8083MorpholineHCID 8857Ethyl AcetateHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 672281212-[2-cyclopentyl-1-(4-methanesulfonyl-phenyl)-ethyl]-1H-pyrrolo[2,3-b]pyridin-5-carboxylic acid

Product 1

HCID 53250431HCID 53250431, compound

Sources & evidence

ORD record
ord-6daec554b09e4133b99c692d16371796
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

Loading…