HRID2314569

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID81531

Diisopropylethylamine

C8H19N

HCID15829159

tert-Butyl 2-(chloromethyl)-1H-benzimidazole-1-carboxylate

C13H15ClN2O2

结构：CC(C)(C)OC(=O)NC(CCCNC1CCCc2cccnc21)C(=O)OC(C)(C)C

HCID69647562

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC(CCCN(Cc1nc2ccccc2n1C(=O)OC(C)(C)C)C1CCCc2cccnc21)C(=O)OC(C)(C)C

HCID69296762

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ff41d81bd74f49bb8c164823eca19af7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH:7]([CH2:8][CH2:9][CH2:10][NH:11][CH:12]1[CH2:13][CH2:14][CH2:15][c:16]2[cH:17][cH:18][cH:19][n:20][c:21]21)[NH:22][C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29])=[O:30].[C:31]([CH3:32])([CH3:33])([CH3:34])[O:35][C:36](=[O:37])[n:38]1[c:39]([CH2:47][Cl:48])[n:40][c:41]2[c:42]1[cH:43][cH:44][cH:45][cH:46]2.[CH3:58][C:59]#[N:60].[CH:49]([N:50]([CH2:51][CH3:52])[CH:53]([CH3:54])[CH3:55])([CH3:56])[CH3:57]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH:7]([CH2:8][CH2:9][CH2:10][N:11]([CH:12]1[CH2:13][CH2:14][CH2:15][c:16]2[cH:17][cH:18][cH:19][n:20][c:21]21)[CH2:47][c:39]1[n:38]([C:36]([O:35][C:31]([CH3:32])([CH3:33])[CH3:34])=[O:37])[c:42]2[c:41]([n:40]1)[cH:46][cH:45][cH:44][cH:43]2)[NH:22][C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29])=[O:30]