HRID1206940

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6569

Methyl ethyl ketone

C4H8O

HCID8471

Triethylamine

C6H15N

HCID88638

Benzimidazolone

C12H15N3O

结构：CCN(CC)C(=O)c1ccc(Cc2ccccc2OCCCBr)cc1

HCID12050395

未命名化合物

PRODUCTS

生成物

结构：CCN(CC)C(=O)c1ccc(Cc2ccccc2OCCCN2CCC(n3c(=O)[nH]c4ccccc43)CC2)cc1

HCID12050396

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d3e6348822f5448893ffe4860ff45bda
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[Br:17][CH2:18][CH2:19][CH2:20][O:21][c:22]1[c:23]([CH2:28][c:29]2[cH:30][cH:31][c:32]([C:35]([N:36]([CH2:37][CH3:38])[CH2:39][CH3:40])=[O:41])[cH:33][cH:34]2)[cH:24][cH:25][cH:26][cH:27]1.[CH2:50]([C:51]([CH3:52])=[O:53])[CH3:54].[CH3:42][CH2:43][N:44]([CH2:45][CH3:46])[CH2:47][CH3:48].[OH2:49].[n:1]1([CH:11]2[CH2:12][CH2:13][NH:14][CH2:15][CH2:16]2)[c:2](=[O:10])[nH:3][c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2>>[n:1]1([CH:11]2[CH2:12][CH2:13][N:14]([CH2:18][CH2:19][CH2:20][O:21][c:22]3[c:23]([CH2:28][c:29]4[cH:30][cH:31][c:32]([C:35]([N:36]([CH2:37][CH3:38])[CH2:39][CH3:40])=[O:41])[cH:33][cH:34]4)[cH:24][cH:25][cH:26][cH:27]3)[CH2:15][CH2:16]2)[c:2](=[O:10])[nH:3][c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2