Calcium Cation → 2-Iodo-4-(1H-1,2,4-triazol-1-yl)aniline

반응식

[C:13](=[O:14])([O-:15])[O-:16].[CH3:20][OH:21].[Ca+2:17].[I:18][Cl:19].[NH2:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[n:9][cH:10][n:11][cH:12]2)[cH:6][cH:7]1.[OH2:22]>>[NH2:1][c:2]1[c:3]([I:18])[cH:4][c:5](-[n:8]2[n:9][cH:10][n:11][cH:12]2)[cH:6][cH:7]1

참가 물질

반응물 6

HCID 271Calcium Cation

HCID 887Methanol

HCID 962Water

HCID 19660Carbonate Ion

HCID 24640Iodine chloride

HCID 7358264-(1,2,4-Triazol-1-yl)aniline

생성물 1

HCID 671861892-Iodo-4-(1H-1,2,4-triazol-1-yl)aniline

출처 및 근거

ORD 기록: ord-7db27bf9e6554cd4a104341e07174b27
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

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