HRID157094

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID8471

Triethylamine

C6H15N

HCID415158

2-(1H-Benzimidazol-2-yl)ethan-1-amine

C9H11N3

结构：CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)O

HCID14802503

未命名化合物

PRODUCTS

生成物

结构：CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCCc1nc2ccccc2[nH]1

HCID86747494

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f812f2b36e6a4b678c3ddb4208dcb0f6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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