Hydrochloric Acid → 2-[[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1H-inden-1-yl]amino]acetic acid

반응식

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

참가 물질

반응물 3

HCID 313Hydrochloric Acid

HCID 312751,4-Dioxane

HCID 67194216HCID 67194216, 화합물

생성물 1

HCID 671946582-[[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1H-inden-1-yl]amino]acetic acid

출처 및 근거

ORD 기록: ord-739ac2a1b2594653a6c223fc20722dfb
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

반응 노트

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