Dichloromethane → (+/-)-5-[6-(3-Carbamoyl-pyrrolidin-1-ylmethyl)-pyrimidin-4-yloxy]-indole-1-carboxylic acid (3-trifluoromethyl-phenyl)-amide

HRID 123237

반응식

HRID 123237 반응식
[C:1]([O:2][C:6](=[O:3])[N:8]1[CH2:9][CH:10]([C:13]([NH2:14])=[O:15])[CH2:11][CH2:12]1)([CH3:4])([CH3:5])[CH3:7].[CH:58]([N:59]([CH2:60][CH3:61])[CH:62]([CH3:63])[CH3:64])([CH3:65])[CH3:66].[Cl:67][CH2:68][Cl:69].[F:16][C:17]([F:18])([F:19])[C:20]([OH:21])=[O:22].[F:23][C:24]([c:25]1[cH:26][c:27]([NH:31][C:32](=[O:33])[n:34]2[cH:35][cH:36][c:37]3[cH:38][c:39]([O:43][c:44]4[cH:45][c:46]([CH2:50][O:51][S:52]([CH3:53])(=[O:54])=[O:55])[n:47][cH:48][n:49]4)[cH:40][cH:41][c:42]23)[cH:28][cH:29][cH:30]1)([F:56])[F:57]>>[CH2:6]([N:8]1[CH2:9][CH:10]([C:13]([NH2:14])=[O:15])[CH2:11][CH2:12]1)[c:46]1[cH:45][c:44]([O:43][c:39]2[cH:38][c:37]3[cH:36][cH:35][n:34]([C:32]([NH:31][c:27]4[cH:26][c:25]([C:24]([F:23])([F:56])[F:57])[cH:30][cH:29][cH:28]4)=[O:33])[c:42]3[cH:41][cH:40]2)[n:49][cH:48][n:47]1

참가 물질

6

반응물 5

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 81531DiisopropylethylamineHCID 4571096Tert-butyl 3-carbamoylpyrrolidine-1-carboxylateHCID 46224264methanesulfonic acid 6-[1-(3-trifluoromethyl-phenylcarbamoyl)-1H-indol-5-yloxy]-pyrimidin-4-ylmethyl ester

생성물 1

HCID 59394341(+/-)-5-[6-(3-Carbamoyl-pyrrolidin-1-ylmethyl)-pyrimidin-4-yloxy]-indole-1-carboxylic acid (3-trifluoromethyl-phenyl)-amide

출처 및 근거

ORD 기록
ord-46906ca6bdd842f39b1875595842fa31
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

연결된 노트

불러오는 중…