Hydrochloric Acid → ethyl 3-[[1-methyl-2-[[N-methyl-4-(N-octoxycarbonylcarbamimidoyl)anilino]methyl]benzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate

HRID 1225994

반응식

HRID 1225994 반응식
[Cl:40][C:41](=[O:42])[O:43][CH2:44][CH2:45][CH2:46][CH2:47][CH2:48][CH2:49][CH2:50][CH3:51].[ClH:1].[n:2]1[c:3]([N:8]([C:9](=[O:10])[c:11]2[cH:12][c:13]3[c:14]([n:15]([CH3:30])[c:16]([CH2:18][N:19]([CH3:20])[c:21]4[cH:22][cH:23][c:24]([C:27]([NH2:28])=[NH:29])[cH:25][cH:26]4)[n:17]3)[cH:31][cH:32]2)[CH2:33][CH2:34][C:35](=[O:36])[O:37][CH2:38][CH3:39])[cH:4][cH:5][cH:6][cH:7]1>>[n:2]1[c:3]([N:8]([C:9](=[O:10])[c:11]2[cH:12][c:13]3[c:14]([n:15]([CH3:30])[c:16]([CH2:18][N:19]([CH3:20])[c:21]4[cH:22][cH:23][c:24]([C:27](=[NH:28])[NH:29][C:41](=[O:42])[O:43][CH2:44][CH2:45][CH2:46][CH2:47][CH2:48][CH2:49][CH2:50][CH3:51])[cH:25][cH:26]4)[n:17]3)[cH:31][cH:32]2)[CH2:33][CH2:34][C:35](=[O:36])[O:37][CH2:38][CH3:39])[cH:4][cH:5][cH:6][cH:7]1

참가 물질

4

반응물 3

HCID 313Hydrochloric AcidHCID 81956Carbonochloridic acid, octyl esterHCID 18412299ethyl 3-[[2-[(4-carbamimidoyl-N-methylanilino)methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate

생성물 1

HCID 140409596ethyl 3-[[1-methyl-2-[[N-methyl-4-(N-octoxycarbonylcarbamimidoyl)anilino]methyl]benzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate

출처 및 근거

ORD 기록
ord-572c93bc40b444da93b3b43bd68fdae9
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

연결된 노트

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