5-(3-Methoxyprop-1-ynyl)-2-phenylthiazole-4-carboxylic acid → 5-(3-methoxyprop-1-ynyl)-2-phenyl-N-(2-(6-(pyrrolidin-1-ylmethyl)thiazolo[5,4-b]pyridin-2-yl)phenyl)thiazole-4-carboxamide

반응식

[CH3:23][O:24][CH2:25][C:26]#[C:27][c:28]1[c:29]([C:39](=[O:40])[OH:41])[n:30][c:31](-[c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[s:32]1.[N:1]1([CH2:6][c:7]2[cH:8][c:9]3[c:10]([n:11][cH:12]2)[s:13][c:14](-[c:16]2[c:17]([NH2:18])[cH:19][cH:20][cH:21][cH:22]2)[n:15]3)[CH2:2][CH2:3][CH2:4][CH2:5]1>>[N:1]1([CH2:6][c:7]2[cH:8][c:9]3[c:10]([n:11][cH:12]2)[s:13][c:14](-[c:16]2[c:17]([NH:18][C:39]([c:29]4[c:28]([C:27]#[C:26][CH2:25][O:24][CH3:23])[s:32][c:31](-[c:33]5[cH:34][cH:35][cH:36][cH:37][cH:38]5)[n:30]4)=[O:40])[cH:19][cH:20][cH:21][cH:22]2)[n:15]3)[CH2:2][CH2:3][CH2:4][CH2:5]1

참가 물질

반응물 2

HCID 585518835-(3-Methoxyprop-1-ynyl)-2-phenylthiazole-4-carboxylic acid

HCID 585518882-(6-(Pyrrolidin-1-ylmethyl)thiazolo[5,4-b]pyridin-2-yl)aniline

생성물 1

HCID 462450485-(3-methoxyprop-1-ynyl)-2-phenyl-N-(2-(6-(pyrrolidin-1-ylmethyl)thiazolo[5,4-b]pyridin-2-yl)phenyl)thiazole-4-carboxamide

출처 및 근거

ORD 기록: ord-640225eb233d4933afe27128e781bf75
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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