HRID201238

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID6371

Phosgene

CCl2O

HCID8028

Tetrahydrofuran

C4H8O

HCID81531

Diisopropylethylamine

C8H19N

HCID15896086

[4-(Aminomethyl)-3-methylphenyl](2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)methanone

C19H22N2O

HCID23111114

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C(=O)N2CCCCc3ccccc32)ccc1CNC(=O)N1CC(=O)N(CC#N)c2cccc(F)c21

HCID11584492

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e7de5736cd0049438f91abbc11b5e1f6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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