Water → 1-[2-(4,5,10,11-tetrahydro-1H-dibenzo[a,d]cyclohepten-5-yl)ethyl]pyrrolidine

반응식

[CH2:1]1[CH:2]=[CH:3][CH2:4][C:5]2=[C:11]1[CH2:10][CH2:9][c:8]1[c:7]([cH:15][cH:14][cH:13][cH:12]1)[CH:6]2[CH2:16][CH2:17][O:18][S:19]([c:20]1[cH:21][cH:22][c:23]([CH3:24])[cH:25][cH:26]1)(=[O:27])=[O:28].[CH2:30]1[CH2:31][CH2:32][NH:33][CH2:34]1.[OH2:29]>>[CH2:1]1[CH:2]=[CH:3][CH2:4][C:5]2=[C:11]1[CH2:10][CH2:9][c:8]1[c:7]([cH:15][cH:14][cH:13][cH:12]1)[CH:6]2[CH2:16][CH2:17][N:33]1[CH2:32][CH2:31][CH2:30][CH2:34]1

참가 물질

반응물 3

HCID 962Water

HCID 31268Pyrrolidine

HCID 867417722-(4,5,10,11-tetrahydro-1H-dibenzo[a,d]cyclohepten-5-yl)ethyl-p-toluenesulfonate

생성물 1

HCID 201879291-[2-(4,5,10,11-tetrahydro-1H-dibenzo[a,d]cyclohepten-5-yl)ethyl]pyrrolidine

출처 및 근거

ORD 기록: ord-071b54882df245729ea34a23ee990011
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

반응 노트

불러오는 중…