HRID2124897

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID1140

Toluene

C7H8

HCID6342

Acetonitrile

C2H3N

HCID6371

Phosgene

CCl2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID22250879

2-Methoxycyclohexan-1-amine

C7H15NO

结构：CN1CCN(c2cc(-c3ccc4c(c3)CNCC4)nc(N)n2)CC1

HCID49779438

未命名化合物

PRODUCTS

生成物

结构：COC1CCCCC1NC(=O)N1CCc2ccc(-c3cc(N4CCN(C)CC4)nc(N)n3)cc2C1

HCID59496628

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7575d11a8b90449ea1c420b3d9766240
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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