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

HRID 2319993

반응식

HRID 2319993 반응식
[CH2:50]([OH:51])[CH3:52].[Cl:38][C:39](=[O:40])[O:41][CH2:42][CH2:43][CH2:44][CH2:45][CH2:46][CH2:47][CH2:48][CH3:49].[Cl:53][CH2:54][Cl:55].[ClH:1].[c:2]1([N:8]([C:9](=[O:10])[c:11]2[cH:12][c:13]3[c:14]([n:15]([CH3:29])[c:16]([CH2:18][NH:19][c:20]4[cH:21][cH:22][c:23]([C:26]([NH2:27])=[NH:28])[cH:24][cH:25]4)[n:17]3)[cH:30][cH:31]2)[CH2:32][CH2:33][C:34](=[O:35])[O:36][CH3:37])[cH:3][cH:4][cH:5][cH:6][cH:7]1>>[c:2]1([N:8]([C:9](=[O:10])[c:11]2[cH:12][c:13]3[c:14]([n:15]([CH3:29])[c:16]([CH2:18][NH:19][c:20]4[cH:21][cH:22][c:23]([C:26](=[NH:27])[NH:28][C:39](=[O:40])[O:41][CH2:42][CH2:43][CH2:44][CH2:45][CH2:46][CH2:47][CH2:48][CH3:49])[cH:24][cH:25]4)[n:17]3)[cH:30][cH:31]2)[CH2:32][CH2:33][C:34](=[O:35])[O:36][CH3:37])[cH:3][cH:4][cH:5][cH:6][cH:7]1

참가 물질

6

반응물 5

HCID 313Hydrochloric AcidHCID 702EthanolHCID 6344DichloromethaneHCID 81956Carbonochloridic acid, octyl esterHCID 18412702methyl 3-(N-[2-[(4-carbamimidoylanilino)methyl]-1-methylbenzimidazole-5-carbonyl]anilino)propanoate

생성물 1

HCID 140409609methyl 3-(N-[1-methyl-2-[[4-(N-octoxycarbonylcarbamimidoyl)anilino]methyl]benzimidazole-5-carbonyl]anilino)propanoate

출처 및 근거

ORD 기록
ord-2000ff39b8904acfb557180148eceb68
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

연결된 노트

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