Acetaldehyde → 4-(2-{4-[3-(Ethyl-pyridin-3-ylmethyl-amino)-phenyl]-pyrimidin-2-ylamino}-ethyl)-phenol

반응식

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

참가 물질

반응물 2

HCID 177Acetaldehyde

HCID 670448754-[2-(4-{3-[(Pyridin-3-ylmethyl)-amino]-phenyl}-pyrimidin-2-ylamino)-ethyl]-phenol

생성물 1

HCID 586036034-(2-{4-[3-(Ethyl-pyridin-3-ylmethyl-amino)-phenyl]-pyrimidin-2-ylamino}-ethyl)-phenol

출처 및 근거

ORD 기록: ord-25ff3afe339b438a98dd27044a04555d
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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