HRID2343421

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID7912

Diisopropylamine

C6H15N

HCID8471

Triethylamine

C6H15N

HCID94429

Triphosgene

C3Cl6O3

结构：CC(C)CN1CCN(c2ccc(N3CCNc4ccccc43)nc2)CC1

HCID66863016

未命名化合物

HCID66863441

未命名化合物

PRODUCTS

生成物

结构：CC(C)CN1CCN(c2ccc(N3CCN(C(=O)NC4C5CC6CC4CC(C(N)=O)(C6)C5)c4ccccc43)nc2)CC1

HCID58102050

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8647ebfc90894be28174f1d7a6c34c60
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

[CH2:1]([CH:2]([CH3:3])[CH3:4])[N:5]1[CH2:6][CH2:7][N:8]([c:11]2[cH:12][cH:13][c:14]([N:17]3[CH2:18][CH2:19][NH:20][c:21]4[cH:22][cH:23][cH:24][cH:25][c:26]43)[n:15][cH:16]2)[CH2:9][CH2:10]1.[CH3:27][CH2:28][N:29]([CH2:30][CH3:31])[CH2:32][CH3:33].[CH:46]([NH:47][CH:48]([CH3:49])[CH3:50])([CH3:51])[CH3:52].[Cl:34][C:35]([Cl:36])([O:37][C:38]([O:39][C:40]([Cl:41])([Cl:42])[Cl:43])=[O:44])[Cl:45].[Cl:67][CH2:68][Cl:69].[NH2:53][CH:54]1[CH:55]2[CH2:56][C:57]3([C:64](=[O:65])[NH2:66])[CH2:58][CH:59]([CH2:60][CH:61]1[CH2:62]3)[CH2:63]2.[O:70]=[CH:71][N:72]([CH3:73])[CH3:74]>>[CH2:1]([CH:2]([CH3:3])[CH3:4])[N:5]1[CH2:6][CH2:7][N:8]([c:11]2[cH:12][cH:13][c:14]([N:17]3[CH2:18][CH2:19][N:20]([C:38](=[O:44])[NH:53][CH:54]4[CH:55]5[CH2:56][C:57]6([C:64](=[O:65])[NH2:66])[CH2:58][CH:59]([CH2:60][CH:61]4[CH2:62]6)[CH2:63]5)[c:21]4[cH:22][cH:23][cH:24][cH:25][c:26]43)[n:15][cH:16]2)[CH2:9][CH2:10]1