Ethanol → 2-[4-(6-chloro-benzo[b]thiophene-2-sulfonyl)-2-oxo-piperazin-1-ylmethyl]-4,7-dihydro-5H-thiazolo[5,4-c]pyridin-6-one

반응식

[CH2:1]([O:3][C:4](=[O:2])[CH2:5][c:6]1[n:7][c:8]([CH2:13][N:14]2[C:15](=[O:33])[CH2:16][N:17]([S:20](=[O:21])(=[O:22])[c:23]3[cH:24][c:25]4[c:26]([s:27]3)[cH:28][c:29]([Cl:32])[cH:30][cH:31]4)[CH2:18][CH2:19]2)[s:9][c:10]1[CH2:11][NH2:12])[CH3:34].[CH3:35][CH2:36][OH:37]>>[O:3]=[C:4]1[CH2:5][c:6]2[n:7][c:8]([CH2:13][N:14]3[C:15](=[O:33])[CH2:16][N:17]([S:20](=[O:21])(=[O:22])[c:23]4[cH:24][c:25]5[c:26]([s:27]4)[cH:28][c:29]([Cl:32])[cH:30][cH:31]5)[CH2:18][CH2:19]3)[s:9][c:10]2[CH2:11][NH:12]1

참가 물질

반응물 2

HCID 702Ethanol

HCID 69024621{5-Aminomethyl-2-[4-(6-chloro-benzo[b]thiophene-2-sulfonyl)-2-oxo-piperazin-1-ylmethyl]-thiazol-4-yl}-acetic acid ethyl ester

생성물 1

HCID 670138552-[4-(6-chloro-benzo[b]thiophene-2-sulfonyl)-2-oxo-piperazin-1-ylmethyl]-4,7-dihydro-5H-thiazolo[5,4-c]pyridin-6-one

출처 및 근거

ORD 기록: ord-4019f335095e4e389b03042c1b3afa05
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

반응 노트

불러오는 중…