Water → Methanesulfonic Acid 3-{3-[3-(4-cyano-5-methylsulfanyl-3-pyridin-3-yl-thiophene-2-yl)-4-methyl-phenylamino]-phenoxyl}-propyl Ester

HRID 2334551

반응식

HRID 2334551 반응식
[CH3:35][CH2:36][N:37]([CH2:38][CH3:39])[CH2:40][CH3:41].[CH3:42][S:43]([Cl:44])(=[O:45])=[O:46].[Cl:48][CH2:49][Cl:50].[OH2:47].[OH:1][CH2:2][CH2:3][CH2:4][O:5][c:6]1[cH:7][c:8]([NH:12][c:13]2[cH:14][cH:15][c:16]([CH3:34])[c:17](-[c:19]3[c:20](-[c:28]4[cH:29][n:30][cH:31][cH:32][cH:33]4)[c:21]([C:26]#[N:27])[c:22]([S:24][CH3:25])[s:23]3)[cH:18]2)[cH:9][cH:10][cH:11]1>>[O:1]([CH2:2][CH2:3][CH2:4][O:5][c:6]1[cH:7][c:8]([NH:12][c:13]2[cH:14][cH:15][c:16]([CH3:34])[c:17](-[c:19]3[c:20](-[c:28]4[cH:29][n:30][cH:31][cH:32][cH:33]4)[c:21]([C:26]#[N:27])[c:22]([S:24][CH3:25])[s:23]3)[cH:18]2)[cH:9][cH:10][cH:11]1)[S:43]([CH3:42])(=[O:45])=[O:46]

참가 물질

6

반응물 5

HCID 962WaterHCID 6344DichloromethaneHCID 8471TriethylamineHCID 31297Methanesulfonyl chlorideHCID 220190305-{5-[3-(3-Hydroxy-propoxy)-phenylamino]-2-methyl-phenyl}-2-methylsulfanyl-4-pyridin-3-yl-thiophene-3-carbonitrile

생성물 1

HCID 86588175Methanesulfonic Acid 3-{3-[3-(4-cyano-5-methylsulfanyl-3-pyridin-3-yl-thiophene-2-yl)-4-methyl-phenylamino]-phenoxyl}-propyl Ester

출처 및 근거

ORD 기록
ord-d3ce5d950ba347978d553568ee49d599
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

연결된 노트

불러오는 중…