HRID105471

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID971

Oxalic acid

C2H2O4

HCID7912

Diisopropylamine

C6H15N

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

结构：O=Cc1nccn1C(c1ccccc1)(c1ccccc1)c1ccccc1

HCID618253

1-Trityl-1H-imidazole-2-carbaldehyde

C23H18N2O

HCID11074387

未命名化合物

HCID178418339

未命名化合物

PRODUCTS

生成物

结构：Cc1c2n(c3ccccc13)C(=O)C(C(O)c1nccn1C(c1ccccc1)(c1ccccc1)c1ccccc1)CC2

HCID15051930

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-78256f882cb347b1b25ea5210b0cb3b2
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

[C:28]([c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1)([c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1)([c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1)[n:47]1[c:48]([CH:52]=[O:53])[n:49][cH:50][cH:51]1.[CH3:13][c:14]1[c:15]2[n:16]([c:17]3[cH:18][cH:19][cH:20][cH:21][c:22]13)[C:23](=[O:27])[CH2:24][CH2:25][CH2:26]2.[CH3:65][CH2:66][CH2:67][CH2:68][CH2:69][CH3:70].[CH:1]([NH:2][CH:3]([CH3:4])[CH3:5])([CH3:6])[CH3:7].[Li:8][CH2:9][CH2:10][CH2:11][CH3:12].[O:60]1[CH2:61][CH2:62][CH2:63][CH2:64]1.[OH2:71].[OH:54][C:55]([C:56](=[O:57])[OH:58])=[O:59]>>[CH3:13][c:14]1[c:15]2[n:16]([c:17]3[cH:18][cH:19][cH:20][cH:21][c:22]13)[C:23](=[O:27])[CH:24]([CH:52]([c:48]1[n:47]([C:28]([c:29]3[cH:30][cH:31][cH:32][cH:33][cH:34]3)([c:35]3[cH:36][cH:37][cH:38][cH:39][cH:40]3)[c:41]3[cH:42][cH:43][cH:44][cH:45][cH:46]3)[cH:51][cH:50][n:49]1)[OH:53])[CH2:25][CH2:26]2