Toluene → HCID 178433353, 화합물

반응식

[CH3:32][c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1.[NH2:11][c:12]1[n:13][c:14]([CH3:31])[c:15]2[c:16]([n:17]1)[CH2:18][CH:19]([c:23]1[c:24]([Br:30])[cH:25][c:26]([F:29])[cH:27][cH:28]1)[NH:20][C:21]2=[S:22].[O:1]1[CH2:2][CH2:3][N:4]([CH2:7][CH2:8][O:9][NH2:10])[CH2:5][CH2:6]1>>[O:1]1[CH2:2][CH2:3][N:4]([CH2:7][CH2:8][O:9][N:10]=[C:21]2[c:15]3[c:14]([CH3:31])[n:13][c:12]([NH2:11])[n:17][c:16]3[CH2:18][CH:19]([c:23]3[c:24]([Br:30])[cH:25][c:26]([F:29])[cH:27][cH:28]3)[NH:20]2)[CH2:5][CH2:6]1

참가 물질

반응물 3

HCID 1140Toluene

HCID 13127327O-[2-(Morpholin-4-yl)ethyl]hydroxylamine

HCID 751038762-amino-7-(2-bromo-4-fluorophenyl)-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidine-5-thione

생성물 1

HCID 178433353HCID 178433353, 화합물

출처 및 근거

ORD 기록: ord-7b87b915735146d3a39474c9a9f06cc8
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

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