{1-[4-(7-Amino-8-methylamino-4-oxo-2-phenyl-4H-chromen-3-yl)-phenyl]-cyclobutyl)-carbamic acid tert-butyl ester → {1-[4-(1,2-Dimethyl-6-oxo-8-phenyl-1,6-dihydro-chromeno[7,8-d]imidazol-7-yl)-phenyl]-cyclobutyl}-carbamic acid tert-butyl ester

반응식

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][C:8]1([c:12]2[cH:13][cH:14][c:15](-[c:18]3[c:19](-[c:33]4[cH:34][cH:35][cH:36][cH:37][cH:38]4)[o:20][c:21]4[c:22]([c:23]3=[O:24])[cH:25][cH:26][c:27]3[n:28][c:29]([CH3:32])[nH:30][c:31]43)[cH:16][cH:17]2)[CH2:9][CH2:10][CH2:11]1)=[O:39].[C:40]([O:41][C:42](=[O:43])[NH:44][C:45]1([c:46]2[cH:47][cH:48][c:49](-[c:50]3[c:51](=[O:52])[c:53]4[c:54]([c:55]([NH:56][CH3:57])[c:58]([NH2:59])[cH:60][cH:61]4)[o:62][c:63]3-[c:64]3[cH:65][cH:66][cH:67][cH:68][cH:69]3)[cH:70][cH:71]2)[CH2:72][CH2:73][CH2:74]1)([CH3:75])([CH3:76])[CH3:77]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][C:8]1([c:12]2[cH:13][cH:14][c:15](-[c:18]3[c:19](-[c:33]4[cH:34][cH:35][cH:36][cH:37][cH:38]4)[o:20][c:21]4[c:22]([c:23]3=[O:24])[cH:25][cH:26][c:27]3[n:28][c:29]([CH3:32])[n:30]([CH3:40])[c:31]43)[cH:16][cH:17]2)[CH2:9][CH2:10][CH2:11]1)=[O:39]

참가 물질

반응물 2

HCID 67067881{1-[4-(7-Amino-8-methylamino-4-oxo-2-phenyl-4H-chromen-3-yl)-phenyl]-cyclobutyl)-carbamic acid tert-butyl ester

HCID 178432084HCID 178432084, 화합물

생성물 1

HCID 67067933{1-[4-(1,2-Dimethyl-6-oxo-8-phenyl-1,6-dihydro-chromeno[7,8-d]imidazol-7-yl)-phenyl]-cyclobutyl}-carbamic acid tert-butyl ester

출처 및 근거

ORD 기록: ord-8c9553ea06f74c5a9a0d85255bca305b
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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