Dimethyl Sulfoxide → 3-{[[2-(Cyclopropylmethyl-propyl-amino)-5-trifluoromethyl-benzyl]-(5-hydroxy-pyrimidin-2-yl)-amino]-methyl}-5-trifluoromethyl-benzonitrile

반응식

[Br:1][c:2]1[cH:3][n:4][c:5]([N:8]([CH2:9][c:10]2[c:11]([N:20]([CH2:21][CH2:22][CH3:23])[CH2:24][CH:25]3[CH2:26][CH2:27]3)[cH:12][cH:13][c:14]([C:16]([F:17])([F:18])[F:19])[cH:15]2)[CH2:28][c:29]2[cH:30][c:31]([C:32]#[N:33])[cH:34][c:35]([C:37]([F:38])([F:39])[F:40])[cH:36]2)[n:6][cH:7]1.[CH3:41][S:42](=[O:43])[CH3:44]>>[c:2]1([OH:43])[cH:3][n:4][c:5]([N:8]([CH2:9][c:10]2[c:11]([N:20]([CH2:21][CH2:22][CH3:23])[CH2:24][CH:25]3[CH2:26][CH2:27]3)[cH:12][cH:13][c:14]([C:16]([F:17])([F:18])[F:19])[cH:15]2)[CH2:28][c:29]2[cH:30][c:31]([C:32]#[N:33])[cH:34][c:35]([C:37]([F:38])([F:39])[F:40])[cH:36]2)[n:6][cH:7]1

참가 물질

반응물 2

HCID 679Dimethyl Sulfoxide

HCID 866268403-({(5-Bromo-pyrimidin-2-yl)-[2-(cyclopropylmethyl-propyl-amino)-5-trifluoromethyl-benzyl]-amino}-methyl)-5-trifluoromethyl-benzonitrile

생성물 1

HCID 866268413-{[[2-(Cyclopropylmethyl-propyl-amino)-5-trifluoromethyl-benzyl]-(5-hydroxy-pyrimidin-2-yl)-amino]-methyl}-5-trifluoromethyl-benzonitrile

출처 및 근거

ORD 기록: ord-d1106923937440999a516aca87ba56c2
출처 데이터셋: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D

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