HRID136084

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8021

Diethylamine

C4H11N

HCID8028

Tetrahydrofuran

C4H8O

HCID82129

Carbonochloridic acid, 4-nitrophenyl ester

C7H4ClNO4

结构：CCn1cc(-c2ccnc3[nH]c(-c4ccc(CN5CCCC5)cc4)cc23)c(-c2ccc(N)cc2)n1

HCID68995250

未命名化合物

PRODUCTS

生成物

结构：CCN(CC)C(=O)Nc1ccc(-c2nn(CC)cc2-c2ccnc3[nH]c(-c4ccc(CN5CCCC5)cc4)cc23)cc1

HCID24816135

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b2ac15a3a193444a926b7dec662b9865
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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