HRID187853

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID12957

Propanamide, 2,2-dimethyl-

C5H11NO

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID16480

1-Chloro-4-isothiocyanatobenzene

C7H4ClNS

HCID166653

Hydride

H-

结构：Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(c2ccccc2)CCNCC1

HCID58727827

未命名化合物

PRODUCTS

生成物

结构：Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(c2ccccc2)CCN(C(=NC(=O)C(C)(C)C)Nc2ccc(Cl)cc2)CC1

HCID178432102

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1f3a47abfaf448ab9f60da8cbfc81760
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

[CH3:1][C:2]([C:3](=[O:4])[NH2:5])([CH3:6])[CH3:7].[CH3:20][c:21]1[n:22][c:23]2[c:24]([n:25]1[CH:26]1[CH2:27][CH:28]3[CH2:29][CH2:30][CH:31]([CH2:32]1)[N:33]3[CH2:34][CH2:35][C:36]1([c:42]3[cH:43][cH:44][cH:45][cH:46][cH:47]3)[CH2:37][CH2:38][NH:39][CH2:40][CH2:41]1)[cH:48][cH:49][cH:50][cH:51]2.[CH3:52][CH2:53][N:54]=[C:55]=[N:56][CH2:57][CH2:58][CH2:59][N:60]([CH3:61])[CH3:62].[CH3:68][N:69]([c:70]1[cH:71][cH:72][n:73][cH:74][cH:75]1)[CH3:76].[Cl:10][c:11]1[cH:12][cH:13][c:14]([N:17]=[C:18]=[S:19])[cH:15][cH:16]1.[H-:8].[Na+:9].[O:63]=[CH:64][N:65]([CH3:66])[CH3:67]>>[CH3:1][C:2]([C:3](=[O:4])[N:5]=[C:18]([NH:17][c:14]1[cH:13][cH:12][c:11]([Cl:10])[cH:16][cH:15]1)[N:39]1[CH2:38][CH2:37][C:36]([CH2:35][CH2:34][N:33]2[CH:28]3[CH2:27][CH:26]([n:25]4[c:21]([CH3:20])[n:22][c:23]5[c:24]4[cH:48][cH:49][cH:50][cH:51]5)[CH2:32][CH:31]2[CH2:30][CH2:29]3)([c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[CH2:41][CH2:40]1)([CH3:6])[CH3:7]