Ethanol → 2-[[3-Ethyl-4-[5-(4-methylphenyl)sulfonyl-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]cyclopentyl]amino]-1,3-thiazole-5-carbonitrile

HRID 172545ノート

反応式

HRID 172545 の反応式
[CH2:1]([CH3:2])[CH:3]1[CH2:4][CH:5]([NH2:30])[CH2:6][CH:7]1[c:8]1[n:9][n:10][c:11]2[n:12]1[c:13]1[c:14]([n:15][cH:16]2)[n:17]([S:20](=[O:21])(=[O:22])[c:23]2[cH:24][cH:25][c:26]([CH3:27])[cH:28][cH:29]2)[cH:18][cH:19]1.[CH3:31][CH2:32][OH:33].[CH:34]([N:35]([CH2:36][CH3:37])[CH:38]([CH3:39])[CH3:40])([CH3:41])[CH3:42].[Cl:43][c:44]1[s:45][c:46]([C:49]#[N:50])[cH:47][n:48]1.[Cl:51][CH2:52][Cl:53]>>[CH2:1]([CH3:2])[CH:3]1[CH2:4][CH:5]([NH:30][c:44]2[s:45][c:46]([C:49]#[N:50])[cH:47][n:48]2)[CH2:6][CH:7]1[c:8]1[n:9][n:10][c:11]2[n:12]1[c:13]1[c:14]([n:15][cH:16]2)[n:17]([S:20](=[O:21])(=[O:22])[c:23]2[cH:24][cH:25][c:26]([CH3:27])[cH:28][cH:29]2)[cH:18][cH:19]1

参加物

6

反応物 5

HCID 702EthanolHCID 6344DichloromethaneHCID 81531DiisopropylethylamineHCID 14852222-Chlorothiazole-5-carbonitrileHCID 580098883-Ethyl-4-(6-tosyl-6H-pyrrolo[2,3-e][1,2,4]triazolo[4,3-a]pyrazin-1-yl)cyclopentanamine

生成物 1

HCID 768290602-[[3-Ethyl-4-[5-(4-methylphenyl)sulfonyl-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]cyclopentyl]amino]-1,3-thiazole-5-carbonitrile

出典と根拠

ORDレコード
ord-30f894da77624b6d92f17b79c8e6f266
出典データセット
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反応ノート

読み込み中…