HRID119402

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID81531

Diisopropylethylamine

C8H19N

HCID94429

Triphosgene

C3Cl6O3

HCID66863441

未命名化合物

结构：CC(C)(C)N1CCC(c2ccc(N3CCNc4ccccc43)nc2)CC1

HCID66863860

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)N1CCC(c2ccc(N3CCN(C(=O)NC4C5CC6CC4CC(C(N)=O)(C6)C5)c4ccccc43)nc2)CC1

HCID58102037

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e191ba2b964a48f3a87f67e60d26bc62
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:1]([CH3:2])([CH3:3])([CH3:4])[N:5]1[CH2:6][CH2:7][CH:8]([c:11]2[cH:12][n: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)[cH: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]([N:47]([CH:48]([CH3:49])[CH3:50])[CH2:51][CH3:52])([CH3:53])[CH3:54].[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:70][CH2:71][Cl:72].[ClH:55].[NH2:56][CH:57]1[CH:58]2[CH2:59][C:60]3([C:67](=[O:68])[NH2:69])[CH2:61][CH:62]([CH2:63][CH:64]1[CH2:65]3)[CH2:66]2.[O:73]=[CH:74][N:75]([CH3:76])[CH3:77]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[N:5]1[CH2:6][CH2:7][CH:8]([c:11]2[cH:12][n:13][c:14]([N:17]3[CH2:18][CH2:19][N:20]([C:38](=[O:44])[NH:56][CH:57]4[CH:58]5[CH2:59][C:60]6([C:67](=[O:68])[NH2:69])[CH2:61][CH:62]([CH2:63][CH:64]4[CH2:65]6)[CH2:66]5)[c:21]4[cH:22][cH:23][cH:24][cH:25][c:26]43)[cH:15][cH:16]2)[CH2:9][CH2:10]1