Dimethyl Sulfoxide → 5-(4-aminophenyl)sulfanyl-N-(2-phenylpropyl)-4-[(7-propan-2-ylpyrido[2,3-d]pyrimidin-4-yl)amino]thiophene-2-carboxamide

HRID 176971

反応式

HRID 176971 の反応式
[B-:50]([F:51])([F:52])([F:53])[F:54].[CH3:31][CH:32]([CH2:33][NH2:34])[c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1.[CH3:72][S:73](=[O:74])[CH3:75].[CH:41]([N:42]([CH2:43][CH3:44])[CH:45]([CH3:46])[CH3:47])([CH3:48])[CH3:49].[NH2:1][c:2]1[cH:3][cH:4][c:5]([S:8][c:9]2[c:10]([NH:17][c:18]3[c:19]4[c:20]([n:21][cH:22][n:23]3)[n:24][c:25]([CH:28]([CH3:29])[CH3:30])[cH:26][cH:27]4)[cH:11][c:12]([C:14](=[O:15])[OH:16])[s:13]2)[cH:6][cH:7]1.[OH2:76].[n:55]1([O:56][C:57]([N:58]([CH3:59])[CH3:60])=[N+:61]([CH3:62])[CH3:63])[c:64]2[cH:65][cH:66][cH:67][cH:68][c:69]2[n:70][n:71]1>>[NH2:1][c:2]1[cH:3][cH:4][c:5]([S:8][c:9]2[c:10]([NH:17][c:18]3[c:19]4[c:20]([n:21][cH:22][n:23]3)[n:24][c:25]([CH:28]([CH3:29])[CH3:30])[cH:26][cH:27]4)[cH:11][c:12]([C:14](=[O:15])[NH:34][CH2:33][CH:32]([CH3:31])[c:35]3[cH:36][cH:37][cH:38][cH:39][cH:40]3)[s:13]2)[cH:6][cH:7]1

参加物

8

反応物 7

HCID 679Dimethyl SulfoxideHCID 962WaterHCID 113982-PhenylpropylamineHCID 26255TetrafluoroborateHCID 81531DiisopropylethylamineHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 670411655-(4-Aminophenylthio)-4-(7-isopropylpyrido[2,3-d]pyrimidin-4-ylamino)thiophene-2-carboxylic acid

生成物 1

HCID 670411625-(4-aminophenyl)sulfanyl-N-(2-phenylpropyl)-4-[(7-propan-2-ylpyrido[2,3-d]pyrimidin-4-yl)amino]thiophene-2-carboxamide

出典と根拠

ORDレコード
ord-ab1123dda72c4c99bed04a02a99f2a3b
出典データセット
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

関連ノート

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