Dichloromethane → 3-butyl-N-[1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]-1-methylindole-5-carboxamide

HRID 154444

反応式

HRID 154444 の反応式
[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[cH:6][n:7]([CH3:17])[c:8]2[cH:9][cH:10][c:11]([C:14](=[O:15])[OH:16])[cH:12][c:13]12.[CH2:42]([Cl:43])[Cl:44].[NH2:18][CH:19]([CH:20]([CH2:21][NH:22][CH2:23][c:24]1[cH:25][c:26]([CH2:30][CH3:31])[cH:27][cH:28][cH:29]1)[OH:32])[CH2:33][c:34]1[cH:35][c:36]([F:41])[cH:37][c:38]([F:40])[cH:39]1.[O:45]1[CH2:46][CH2:47][CH2:48][CH2:49]1>>[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[cH:6][n:7]([CH3:17])[c:8]2[cH:9][cH:10][c:11]([C:14](=[O:16])[NH:18][CH:19]([CH:20]([CH2:21][NH:22][CH2:23][c:24]3[cH:25][c:26]([CH2:30][CH3:31])[cH:27][cH:28][cH:29]3)[OH:32])[CH2:33][c:34]3[cH:35][c:36]([F:41])[cH:37][c:38]([F:40])[cH:39]3)[cH:12][c:13]12

参加物

5

反応物 4

HCID 6344DichloromethaneHCID 8028TetrahydrofuranHCID 210857263-Butyl-1-methyl-1H-indole-5-carboxylic acidHCID 218657313-Amino-4-(3,5-difluoro-phenyl)-1-(3-ethyl-benzylamino)-butan-2-ol

生成物 1

HCID 210857623-butyl-N-[1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]-1-methylindole-5-carboxamide

出典と根拠

ORDレコード
ord-c1d156d367c44875b2ab91dab811be07
出典データセット
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

関連ノート

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