HRID672368

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

结构：CC(C)(C)OC(=O)CN1C(=O)CCNc2c(F)cccc21

HCID67000057

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C(=O)N2CCCCc3ccccc32)ccc1CNC(=O)N1CCC(=O)N(CC(=O)OC(C)(C)C)c2cccc(F)c21

HCID59807185

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-924ea95e677b4a4dbd43fe6658f5aa6a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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