Chloroform → 3-[3-[3-(1-Pyrrolidinylmethyl)-phenoxy]propylamino]-5-methyl-6-phenyl-1,2,4-triazine

반응식

[CH3:1][c:2]1[n:3][c:4]([S:14][CH3:15])[n:5][n:6][c:7]1-[c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1.[CH:33]([Cl:34])([Cl:35])[Cl:36].[N:16]1([CH2:21][c:22]2[cH:23][c:24]([O:25][CH2:26][CH2:27][CH2:28][NH2:29])[cH:30][cH:31][cH:32]2)[CH2:17][CH2:18][CH2:19][CH2:20]1>>[CH3:1][c:2]1[n:3][c:4]([NH:29][CH2:28][CH2:27][CH2:26][O:25][c:24]2[cH:23][c:22]([CH2:21][N:16]3[CH2:17][CH2:18][CH2:19][CH2:20]3)[cH:32][cH:31][cH:30]2)[n:5][n:6][c:7]1-[c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1

참가 물질

반응물 3

HCID 6212Chloroform

HCID 127974543-{3-[(Pyrrolidin-1-yl)methyl]phenoxy}propan-1-amine

HCID 155863425-Methyl-3-methylthio-6-phenyl-1,2,4-triazine

생성물 1

HCID 202321263-[3-[3-(1-Pyrrolidinylmethyl)-phenoxy]propylamino]-5-methyl-6-phenyl-1,2,4-triazine

출처 및 근거

ORD 기록: ord-40306bd1eacd42b0af5ab848f0be5297
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

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