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Hydroxide → 2-(2-(5-Bromo-4-(4-cyclopropylnaphthalen-1-yl)-4H-1,2,4-triazol-3-ylthio)acetamido)propanoic Acid

HRID 2145382
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HRID 2145382 반응식
[Br:3][c:4]1[n:5](-[c:20]2[cH:21][cH:22][c:23]([CH:30]3[CH2:31][CH2:32]3)[c:24]3[cH:25][cH:26][cH:27][cH:28][c:29]23)[c:6]([S:9][CH2:10][C:11](=[O:12])[NH:13][CH:14]([C:15](=[O:16])[O:17][CH3:18])[CH3:19])[n:7][n:8]1.[CH2:33]1[O:34][CH2:35][CH2:36][CH2:37]1.[Li+:1].[OH-:2].[OH2:38]>>[Br:3][c:4]1[n:5](-[c:20]2[cH:21][cH:22][c:23]([CH:30]3[CH2:31][CH2:32]3)[c:24]3[cH:25][cH:26][cH:27][cH:28][c:29]23)[c:6]([S:9][CH2:10][C:11](=[O:12])[NH:13][CH:14]([C:15](=[O:16])[OH:17])[CH3:19])[n:7][n:8]1
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참가 물질

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반응물 5

HCID 961HydroxideHCID 962WaterHCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 57811386Methyl 2-(2-(5-bromo-4-(1-cyclopropylnaphthalen-4-yl)-4H-1,2,4-triazol-3-ylthio)acetamido)propanoate

생성물 1

HCID 461789352-(2-(5-Bromo-4-(4-cyclopropylnaphthalen-1-yl)-4H-1,2,4-triazol-3-ylthio)acetamido)propanoic Acid

출처 및 근거

ORD 기록
ord-0f7ce240d76b451da657438ea694c215
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

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