Methanol → 1-Amino-cyclopropanecarboxylic acid [1-(4-pyrrolidin-1-ylmethyl-pyridin-2-yl)-cyclopropyl]-amide

반응식

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

참가 물질

반응물 2

HCID 887Methanol

HCID 58431218{1-[1-(4-Pyrrolidin-1-ylmethyl-pyridin-2-yl)-cyclopropylcarbamoyl]-cyclopropyl}-carbamic acid benzyl ester

생성물 1

HCID 584312021-Amino-cyclopropanecarboxylic acid [1-(4-pyrrolidin-1-ylmethyl-pyridin-2-yl)-cyclopropyl]-amide

출처 및 근거

ORD 기록: ord-cde50663caad4b569f6163588cfb5ad8
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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