1-Pyrrolidineethanamine → 1-[4-[5-(2-Phenoxyethylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]phenyl]-3-(2-pyrrolidin-1-ylethyl)urea

반응식

[CH2:1]([O:2][C:4]([NH:5][c:6]1[cH:7][cH:8][c:9](-[c:12]2[o:13][c:14]([CH2:17][S:18][CH2:19][CH2:20][O:21][c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)[n:15][n:16]2)[cH:10][cH:11]1)=[O:28])[CH3:3].[NH2:29][CH2:30][CH2:31][N:32]1[CH2:33][CH2:34][CH2:35][CH2:36]1>>[C:4]([NH:5][c:6]1[cH:7][cH:8][c:9](-[c:12]2[o:13][c:14]([CH2:17][S:18][CH2:19][CH2:20][O:21][c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)[n:15][n:16]2)[cH:10][cH:11]1)(=[O:28])[NH:29][CH2:30][CH2:31][N:32]1[CH2:33][CH2:34][CH2:35][CH2:36]1

참가 물질

반응물 2

HCID 13441-Pyrrolidineethanamine

HCID 58884939ethyl N-[4-[5-(2-phenoxyethylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]phenyl]carbamate

생성물 1

HCID 102540301-[4-[5-(2-Phenoxyethylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]phenyl]-3-(2-pyrrolidin-1-ylethyl)urea

출처 및 근거

ORD 기록: ord-6b977e2fdc114fd4b3c57d98a410bfce
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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