Aniline → benzyl N-[8-(2-anilino-2-oxoethyl)-8-methyl-4-oxo-6-[[4-(N-phenylmethoxycarbonylcarbamimidoyl)phenyl]methylcarbamoyl]-6,7-dihydropyrrolo[1,2-a]pyrimidin-3-yl]-N-prop-2-enylcarbamate

반응식

[CH2:1]([CH:2]=[CH2:3])[N:4]([c:5]1[cH:6][n:7][c:8]2[n:9]([c:10]1=[O:11])[CH:12]([C:20]([NH:21][CH2:22][c:23]1[cH:24][cH:25][c:26]([C:29](=[NH:30])[NH:31][C:32](=[O:33])[O:34][CH2:35][c:36]3[cH:37][cH:38][cH:39][cH:40][cH:41]3)[cH:27][cH:28]1)=[O:42])[CH2:13][C:14]2([CH3:15])[CH2:16][C:17](=[O:18])[OH:19])[C:43](=[O:44])[O:45][CH2:46][c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1.[NH2:53][c:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]1>>[CH2:1]([CH:2]=[CH2:3])[N:4]([c:5]1[cH:6][n:7][c:8]2[n:9]([c:10]1=[O:11])[CH:12]([C:20]([NH:21][CH2:22][c:23]1[cH:24][cH:25][c:26]([C:29](=[NH:30])[NH:31][C:32](=[O:33])[O:34][CH2:35][c:36]3[cH:37][cH:38][cH:39][cH:40][cH:41]3)[cH:27][cH:28]1)=[O:42])[CH2:13][C:14]2([CH3:15])[CH2:16][C:17](=[O:19])[NH:53][c:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]1)[C:43](=[O:44])[O:45][CH2:46][c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1

참가 물질

반응물 2

HCID 6115Aniline

HCID 178457974HCID 178457974, 화합물

생성물 1

HCID 173190690benzyl N-[8-(2-anilino-2-oxoethyl)-8-methyl-4-oxo-6-[[4-(N-phenylmethoxycarbonylcarbamimidoyl)phenyl]methylcarbamoyl]-6,7-dihydropyrrolo[1,2-a]pyrimidin-3-yl]-N-prop-2-enylcarbamate

출처 및 근거

ORD 기록: ord-e3ecff147af44fdbb5dacd0d8b8fa375
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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