HRID690845

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID16717

3-Aminobiphenyl

C12H11N

HCID82129

Carbonochloridic acid, 4-nitrophenyl ester

C7H4ClNO4

结构：CCn1cc(-c2ccnc3[nH]ccc23)c(-c2ccc(N)cc2)n1

HCID68999813

未命名化合物

PRODUCTS

生成物

结构：CCn1cc(-c2ccnc3[nH]ccc23)c(-c2ccc(NC(=O)Nc3cccc(-c4ccccc4)c3)cc2)n1

HCID58980021

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f8ef1ed9936f4a8687837eeabc91fcc9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH2:1]([CH3:2])[n:3]1[n:4][c:5](-[c:17]2[cH:18][cH:19][c:20]([NH2:21])[cH:22][cH:23]2)[c:6](-[c:8]2[c:9]3[c:10]([n:11][cH:12][cH:13]2)[nH:14][cH:15][cH:16]3)[cH:7]1.[CH3:24][CH2:25][N:26]([CH2:27][CH3:28])[CH2:29][CH3:30].[Cl:31][C:32](=[O:33])[O:34][c:35]1[cH:36][cH:37][c:38]([N+:39]([O-:40])=[O:41])[cH:42][cH:43]1.[O:57]1[CH2:58][CH2:59][CH2:60][CH2:61]1.[OH2:62].[c:44]1(-[c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[cH:45][c:46]([NH2:50])[cH:47][cH:48][cH:49]1>>[CH2:1]([CH3:2])[n:3]1[n:4][c:5](-[c:17]2[cH:18][cH:19][c:20]([NH:21][C:32](=[O:33])[NH:50][c:46]3[cH:45][c:44](-[c:51]4[cH:52][cH:53][cH:54][cH:55][cH:56]4)[cH:49][cH:48][cH:47]3)[cH:22][cH:23]2)[c:6](-[c:8]2[c:9]3[c:10]([n:11][cH:12][cH:13]2)[nH:14][cH:15][cH:16]3)[cH:7]1