HRID1133602

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID263

1-Butanol

C4H10O

HCID13680283

1-Methyl-1H-benzimidazol-6-amine

C8H9N3

结构：CC(C)(C)OC(=O)N1CC=C(c2cc3c(Cl)ncnc3[nH]2)CC1

HCID58709797

未命名化合物

PRODUCTS

生成物

结构：Cn1cnc2ccc(Nc3ncnc4[nH]c(C5=CCN(C(=O)OC(C)(C)C)CC5)cc34)cc21

HCID58709895

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-667e39838bb84ea39851a8de4e7811f5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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