HRID286795

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID813

Potassium cation

K+

HCID923

Sodium ion

Na+

HCID6342

Acetonitrile

C2H3N

HCID30165

Iodide ion

I-

HCID81531

Diisopropylethylamine

C8H19N

HCID15829159

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

C13H15ClN2O2

结构：O=C1c2ccccc2C(=O)N1CCCCNC1CCCc2nccnc21

HCID69178575

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)n1c(CN(CCCCN2C(=O)c3ccccc3C2=O)C2CCCc3nccnc32)nc2ccccc21

HCID69206340

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f4069dd906d74e98b5036a6521459b32
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:27]([CH3:28])([CH3:29])([CH3:30])[O:31][C:32](=[O:33])[n:34]1[c:35]([CH2:43][Cl:44])[n:36][c:37]2[c:38]1[cH:39][cH:40][cH:41][cH:42]2.[C:56](=[O:57])([OH:58])[O-:59].[CH3:61][C:62]#[N:63].[CH:47]([N:48]([CH:49]([CH3:50])[CH3:51])[CH2:52][CH3:53])([CH3:54])[CH3:55].[I-:46].[K+:45].[Na+:60].[n:1]1[cH:2][cH:3][n:4][c:5]2[c:10]1[CH2:9][CH2:8][CH2:7][CH:6]2[NH:11][CH2:12][CH2:13][CH2:14][CH2:15][N:16]1[C:17](=[O:26])[c:18]2[cH:19][cH:20][cH:21][cH:22][c:23]2[C:24]1=[O:25]>>[n:1]1[cH:2][cH:3][n:4][c:5]2[c:10]1[CH2:9][CH2:8][CH2:7][CH:6]2[N:11]([CH2:12][CH2:13][CH2:14][CH2:15][N:16]1[C:17](=[O:26])[c:18]2[cH:19][cH:20][cH:21][cH:22][c:23]2[C:24]1=[O:25])[CH2:43][c:35]1[n:34]([C:32]([O:31][C:27]([CH3:28])([CH3:29])[CH3:30])=[O:33])[c:38]2[c:37]([n:36]1)[cH:42][cH:41][cH:40][cH:39]2