HRID2318601

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID760

Glyoxylic acid

C2H2O3

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID66827

Boronic acid, phenyl-

C6H7BO2

结构：Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(c2ccccc2)CCNCC1

HCID58727827

未命名化合物

PRODUCTS

生成物

结构：Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(c2ccccc2)CCN(C(C(=O)O)c2ccccc2)CC1

HCID56674000

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ea9959d0b9224156aee0d4be82a76e7e
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:43]([CH:44]=[O:45])(=[O:46])[OH:47].[CH2:35]([N:36]([CH2:37][CH3:38])[CH2:39][CH3:40])[CH3:41].[CH2:57]1[O:58][CH2:59][CH2:60][CH2:61]1.[CH3:3][c:4]1[n:5][c:6]2[c:7]([n:8]1[CH:9]1[CH2:10][CH:11]3[CH2:12][CH2:13][CH:14]([CH2:15]1)[N:16]3[CH2:17][CH2:18][C:19]1([c:25]3[cH:26][cH:27][cH:28][cH:29][cH:30]3)[CH2:20][CH2:21][NH:22][CH2:23][CH2:24]1)[cH:31][cH:32][cH:33][cH:34]2.[ClH:1].[ClH:2].[OH2:42].[c:48]1([B:54]([OH:55])[OH:56])[cH:49][cH:50][cH:51][cH:52][cH:53]1>>[CH3:3][c:4]1[n:5][c:6]2[c:7]([n:8]1[CH:9]1[CH2:10][CH:11]3[CH2:12][CH2:13][CH:14]([CH2:15]1)[N:16]3[CH2:17][CH2:18][C:19]1([c:25]3[cH:26][cH:27][cH:28][cH:29][cH:30]3)[CH2:20][CH2:21][N:22]([CH:44]([C:43](=[O:46])[OH:47])[c:48]3[cH:49][cH:50][cH:51][cH:52][cH:53]3)[CH2:23][CH2:24]1)[cH:31][cH:32][cH:33][cH:34]2