Toluene → 2-butyl-6-(6,6-dimethyl-3,3a,4,5-tetrahydro-2H-pyrrolo[1,2-b][1,2]oxazol-2-yl)-3-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]quinazolin-4-one

HRID 2344819

반응식

HRID 2344819 반응식
[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6][c:7]2[cH:8][cH:9][c:10]([CH:53]=[CH2:54])[cH:11][c:12]2[c:13](=[O:52])[n:14]1[CH2:15][c:16]1[cH:17][cH:18][c:19](-[c:22]2[c:23](-[c:28]3[n:29][n:30][n:31][n:32]3[C:33]([c:34]3[cH:35][cH:36][cH:37][cH:38][cH:39]3)([c:40]3[cH:41][cH:42][cH:43][cH:44][cH:45]3)[c:46]3[cH:47][cH:48][cH:49][cH:50][cH:51]3)[cH:24][cH:25][cH:26][cH:27]2)[cH:20][cH:21]1.[CH3:55][C:56]1([CH3:62])[CH2:57][CH2:58][CH:59]=[N+:60]1[O-:61].[CH3:63][c:64]1[cH:65][cH:66][cH:67][cH:68][cH:69]1>>[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6][c:7]2[cH:8][cH:9][c:10]([CH:53]3[CH2:54][CH:59]4[CH2:58][CH2:57][C:56]([CH3:55])([CH3:62])[N:60]4[O:61]3)[cH:11][c:12]2[c:13](=[O:52])[n:14]1[CH2:15][c:16]1[cH:17][cH:18][c:19](-[c:22]2[c:23](-[c:28]3[n:29][n:30][n:31][n:32]3[C:33]([c:34]3[cH:35][cH:36][cH:37][cH:38][cH:39]3)([c:40]3[cH:41][cH:42][cH:43][cH:44][cH:45]3)[c:46]3[cH:47][cH:48][cH:49][cH:50][cH:51]3)[cH:24][cH:25][cH:26][cH:27]2)[cH:20][cH:21]1

참가 물질

4

반응물 3

HCID 1140TolueneHCID 17745,5-dimethyl-1-pyrroline N-oxideHCID 152339312-Butyl-6-ethenyl-3-[[2'-[1-(triphenylmethyl)-1H-tetrazol-5-yl][1,1'-biphenyl]-4-yl]methyl]-4(3H)-quinazolinone

생성물 1

HCID 189589232-butyl-6-(6,6-dimethyl-3,3a,4,5-tetrahydro-2H-pyrrolo[1,2-b][1,2]oxazol-2-yl)-3-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]quinazolin-4-one

출처 및 근거

ORD 기록
ord-3a555a906c5e42c0af79ca94e05ce80e
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

연결된 노트

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