2,2-Diphenylethylamine → N-[4-[2-(3-aminopyrrolidin-1-yl)-6-[2,2-bis(4-hydroxyphenyl)ethylamino]purin-9-yl]-2,3-dihydroxycyclopentyl]-3-hydroxypropanamide

HRID 98314

反応式

HRID 98314 の反応式
[NH2:1][CH:2]1[CH2:3][N:4]([c:7]2[n:8][c:9]([NH:29][CH2:30][CH:31]([c:32]3[cH:33][cH:34][cH:35][cH:36][cH:37]3)[c:38]3[cH:39][cH:40][cH:41][cH:42][cH:43]3)[c:10]3[n:11][cH:12][n:13]([CH:16]4[CH:17]([OH:28])[CH:18]([OH:27])[CH:19]([NH:21][C:22]([CH2:23][CH2:24][OH:25])=[O:26])[CH2:20]4)[c:14]3[n:15]2)[CH2:5][CH2:6]1.[NH2:44][CH2:45][CH:46]([c:47]1[cH:48][cH:49][c:50]([OH:53])[cH:51][cH:52]1)[c:54]1[cH:55][cH:56][c:57]([OH:60])[cH:58][cH:59]1.[c:61]1([CH:62]([c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)[CH2:69][NH2:70])[cH:71][cH:72][cH:73][cH:74][cH:75]1>>[NH2:1][CH:2]1[CH2:3][N:4]([c:7]2[n:8][c:9]([NH:44][CH2:45][CH:46]([c:47]3[cH:48][cH:49][c:50]([OH:53])[cH:51][cH:52]3)[c:54]3[cH:55][cH:56][c:57]([OH:60])[cH:58][cH:59]3)[c:10]3[n:11][cH:12][n:13]([CH:16]4[CH:17]([OH:28])[CH:18]([OH:27])[CH:19]([NH:21][C:22]([CH2:23][CH2:24][OH:25])=[O:26])[CH2:20]4)[c:14]3[n:15]2)[CH2:5][CH2:6]1

参加物

4

反応物 3

HCID 775752,2-DiphenylethylamineHCID 217102804,4'-(2-Aminoethylidene)bisphenolHCID 178507879HCID 178507879、化合物

生成物 1

HCID 178507882N-[4-[2-(3-aminopyrrolidin-1-yl)-6-[2,2-bis(4-hydroxyphenyl)ethylamino]purin-9-yl]-2,3-dihydroxycyclopentyl]-3-hydroxypropanamide

出典と根拠

ORDレコード
ord-5617c0e9769f4ae9a09f70907afd3aa7
出典データセット
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

関連ノート

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