Hydrochloric Acid → Hydrochloric Acid

HRID 292930노트

반응식

HRID 292930 반응식
[CH3:1][c:2]1[c:3]([C:9]([CH2:10][CH3:11])=[O:12])[cH:4][cH:5][cH:6][c:7]1[CH3:8].[CH:20]([OH:21])([CH3:22])[CH3:23].[ClH:13].[ClH:19].[NH:14]1[CH2:15][CH2:16][CH2:17][CH2:18]1.[OH2:24]>>[CH3:1][c:2]1[c:3]([C:9]([CH:10]([CH3:11])[CH2:20][N:14]2[CH2:15][CH2:16][CH2:17][CH2:18]2)=[O:12])[cH:4][cH:5][cH:6][c:7]1[CH3:8].[ClH:13]

참가 물질

7

반응물 5

HCID 313Hydrochloric Acid2회HCID 962WaterHCID 3776IsopropanolHCID 31268PyrrolidineHCID 123994421-(2,3-Dimethylphenyl)propan-1-one

생성물 2

HCID 313Hydrochloric AcidHCID 100375231-(2,3-Dimethylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-one

출처 및 근거

ORD 기록
ord-46da90fe2fb34804a3c153dfbb2134c4
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

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