Hydrochloric Acid → 2-[4-[2-(6-tert-butyl-4-ethoxy-3-pyridinyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazole-1-carbonyl]piperazin-1-yl]-1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone

HRID 181421

반응식

HRID 181421 반응식
[C:2]([CH3:3])([CH3:4])([CH3:5])[c:6]1[cH:7][c:8]([O:45][CH2:46][CH3:47])[c:9]([C:12]2=[N:16][C:15]([CH3:17])([c:18]3[cH:19][cH:20][c:21]([Cl:24])[cH:22][cH:23]3)[C:14]([CH3:25])([c:26]3[cH:27][cH:28][c:29]([Cl:32])[cH:30][cH:31]3)[N:13]2[C:33](=[O:34])[N:35]2[CH2:36][CH2:37][N:38]([CH2:41][C:42](=[O:43])[OH:44])[CH2:39][CH2:40]2)[cH:10][n:11]1.[ClH:1].[S:48]1(=[O:54])(=[O:55])[CH2:49][CH2:50][NH:51][CH2:52][CH2:53]1>>[C:2]([CH3:3])([CH3:4])([CH3:5])[c:6]1[cH:7][c:8]([O:45][CH2:46][CH3:47])[c:9]([C:12]2=[N:16][C:15]([CH3:17])([c:18]3[cH:19][cH:20][c:21]([Cl:24])[cH:22][cH:23]3)[C:14]([CH3:25])([c:26]3[cH:27][cH:28][c:29]([Cl:32])[cH:30][cH:31]3)[N:13]2[C:33](=[O:34])[N:35]2[CH2:36][CH2:37][N:38]([CH2:41][C:42](=[O:43])[N:51]3[CH2:50][CH2:49][S:48](=[O:54])(=[O:55])[CH2:53][CH2:52]3)[CH2:39][CH2:40]2)[cH:10][n:11]1

참가 물질

4

반응물 3

HCID 313Hydrochloric AcidHCID 6484228Thiomorpholine 1,1-dioxideHCID 178466472HCID 178466472, 화합물

생성물 1

HCID 1784664502-[4-[2-(6-tert-butyl-4-ethoxy-3-pyridinyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazole-1-carbonyl]piperazin-1-yl]-1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone

출처 및 근거

ORD 기록
ord-6c5e7bb1371946e0ab6ac77bf6e5cd33
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

연결된 노트

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