HRID97450

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID28123

Tetrahydroborate

H4B-

HCID28486

Lithium ion

Li+

结构：O=C(c1c[nH]c2ccc(N(Cc3ccccc3)Cc3ccccc3)cc12)C1CCCN1C(=O)OCc1ccccc1

HCID44719127

未命名化合物

PRODUCTS

生成物

结构：O=C(OCc1ccccc1)N1CCCC1Cc1c[nH]c2ccc(N(Cc3ccccc3)Cc3ccccc3)cc12

HCID19040738

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-29d16bf3ed8d48c0bf67dc7310a34361
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[BH4-:42].[C:44](=[O:45])([O-:46])[OH:47].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[N:11]1[CH:12]([C:16](=[O:17])[c:18]2[cH:19][nH:20][c:21]3[cH:22][cH:23][c:24]([N:27]([CH2:28][c:29]4[cH:30][cH:31][cH:32][cH:33][cH:34]4)[CH2:35][c:36]4[cH:37][cH:38][cH:39][cH:40][cH:41]4)[cH:25][c:26]23)[CH2:13][CH2:14][CH2:15]1.[Li+:43].[Na+:48].[O:49]1[CH2:50][CH2:51][CH2:52][CH2:53]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[N:11]1[CH:12]([CH2:16][c:18]2[cH:19][nH:20][c:21]3[cH:22][cH:23][c:24]([N:27]([CH2:28][c:29]4[cH:30][cH:31][cH:32][cH:33][cH:34]4)[CH2:35][c:36]4[cH:37][cH:38][cH:39][cH:40][cH:41]4)[cH:25][c:26]23)[CH2:13][CH2:14][CH2:15]1