Chloroform → 1-[5,6-Bis(4-methylphenyl)-1,2,4-triazin-3-yl]pyrrolidin-3-ol

반응식

[CH:28]([Cl:29])([Cl:30])[Cl:31].[Cl:1][c:2]1[n:3][n:4][c:5](-[c:15]2[cH:16][cH:17][c:18]([CH3:21])[cH:19][cH:20]2)[c:6](-[c:8]2[cH:9][cH:10][c:11]([CH3:14])[cH:12][cH:13]2)[n:7]1.[NH:22]1[CH2:23][CH:24]([OH:27])[CH2:25][CH2:26]1>>[c:2]1([N:22]2[CH2:23][CH:24]([OH:27])[CH2:25][CH2:26]2)[n:3][n:4][c:5](-[c:15]2[cH:16][cH:17][c:18]([CH3:21])[cH:19][cH:20]2)[c:6](-[c:8]2[cH:9][cH:10][c:11]([CH3:14])[cH:12][cH:13]2)[n:7]1

참가 물질

반응물 3

HCID 6212Chloroform

HCID 982104-Hydroxypyrrolidine

HCID 134721453-Chloro-5,6-bis(4-methylphenyl)-1,2,4-triazine

생성물 1

HCID 134721611-[5,6-Bis(4-methylphenyl)-1,2,4-triazin-3-yl]pyrrolidin-3-ol

출처 및 근거

ORD 기록: ord-aa484b95c72141fc93ad406718a68588
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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