Hydrochloric Acid → Hydrochloric Acid

HRID 2344346노트

반응식

HRID 2344346 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([C:7]([CH3:8])([CH3:9])[S:10][c:11]1[s:12][cH:13][c:14]([CH2:16][CH2:17][N:18]([CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH3:25])[c:26]2[n:27][cH:28][c:29]([Br:32])[cH:30][cH:31]2)[n:15]1)=[O:33].[ClH:40].[O:34]1[CH2:35][CH2:36][O:37][CH2:38][CH2:39]1.[O:41]1[CH2:42][CH2:43][O:44][CH2:45][CH2:46]1>>[ClH:40].[O:5]=[C:6]([C:7]([CH3:8])([CH3:9])[S:10][c:11]1[s:12][cH:13][c:14]([CH2:16][CH2:17][N:18]([CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH3:25])[c:26]2[n:27][cH:28][c:29]([Br:32])[cH:30][cH:31]2)[n:15]1)[OH:33]

참가 물질

5

반응물 3

HCID 313Hydrochloric AcidHCID 312751,4-Dioxane2회HCID 597594422-[(4-{2-[(5-Bromopyridin-2-yl)(heptyl)amino]ethyl}-1,3-thiazol-2-yl)thio]-2-methylpropionic acid tert-butyl ester

생성물 2

HCID 313Hydrochloric AcidHCID 597592342-[[4-[2-[(5-Bromo-2-pyridinyl)-heptylamino]ethyl]-1,3-thiazol-2-yl]sulfanyl]-2-methylpropanoic acid

출처 및 근거

ORD 기록
ord-988093ff2f8d436cb2aee22f123344b2
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

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