1-(2-Hydroxyethyl)piperazine → [4-Amino-2-(1-[3-[4-(2-hydroxy-ethyl)-piperazin-1-yl]-propane-1-sulfonyl]-piperidin-4-ylamino)-pyrimidin-5-yl]-(2,3-difluoro-6-methoxy-phenyl)-methanone

HRID 196505

반응식

HRID 196505 반응식
[NH2:1][c:2]1[n:3][c:4]([NH:20][CH:21]2[CH2:22][CH2:23][N:24]([S:27](=[O:28])(=[O:29])[CH2:30][CH2:31][CH2:32][Cl:33])[CH2:25][CH2:26]2)[n:5][cH:6][c:7]1[C:8](=[O:9])[c:10]1[c:11]([F:19])[c:12]([F:18])[cH:13][cH:14][c:15]1[O:16][CH3:17].[OH:34][CH2:35][CH2:36][N:37]1[CH2:38][CH2:39][NH:40][CH2:41][CH2:42]1>>[NH2:1][c:2]1[n:3][c:4]([NH:20][CH:21]2[CH2:22][CH2:23][N:24]([S:27](=[O:28])(=[O:29])[CH2:30][CH2:31][CH2:32][N:40]3[CH2:39][CH2:38][N:37]([CH2:36][CH2:35][OH:34])[CH2:42][CH2:41]3)[CH2:25][CH2:26]2)[n:5][cH:6][c:7]1[C:8](=[O:9])[c:10]1[c:11]([F:19])[c:12]([F:18])[cH:13][cH:14][c:15]1[O:16][CH3:17]

참가 물질

3

반응물 2

HCID 76771-(2-Hydroxyethyl)piperazineHCID 9983584[4-Amino-2-[1-(3-chloro-propane-1-sulfonyl)-piperidin-4-ylamino]-pyrimidin-5-yl]-(2,3-difluoro-6-methoxy-phenyl)-methanone

생성물 1

HCID 10257967[4-Amino-2-(1-[3-[4-(2-hydroxy-ethyl)-piperazin-1-yl]-propane-1-sulfonyl]-piperidin-4-ylamino)-pyrimidin-5-yl]-(2,3-difluoro-6-methoxy-phenyl)-methanone

출처 및 근거

ORD 기록
ord-336d5b4e8f5d477f83c5cb25918ba9fe
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

연결된 노트

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