Hydrogen Bromide → ethyl 2-((E)-2-(((1s,3s)-adamantane-1-carbonyl)imino)benzo[d]thiazol-3(2H)-yl)acetate

반응식

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

참가 물질

반응물 3

HCID 260Hydrogen Bromide

HCID 132351-Adamantanecarboxylic acid

HCID 5210676ethyl 2-(2-iminobenzo[d]thiazol-3(2H)-yl)acetate

생성물 1

HCID 24888733ethyl 2-((E)-2-(((1s,3s)-adamantane-1-carbonyl)imino)benzo[d]thiazol-3(2H)-yl)acetate

출처 및 근거

ORD 기록: ord-f5830da6306346619a872dce75a23a5e
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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