HRID106899

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID313

Hydrochloric Acid

ClH

2 次

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID68263

1,1'-Carbonylbis(1H-imidazole)

C7H6N4O

结构：CC(C)n1cc2c3c(cccc31)C1CC(C(=O)O)CN(C)C1C2

HCID9926796

未命名化合物

HCID178419017

未命名化合物

PRODUCTS

生成物

结构：CC(C)n1cc2c3c(cccc31)C1CC(C(=O)NCCc3c[nH]cn3)CN(C)C1C2

HCID178456160

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-358b498e161a46fab785263ea807be9e
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:24]([n:25]1[cH:26][cH:27][n:28][cH:29]1)([n:30]1[cH:31][cH:32][n:33][cH:34]1)=[O:35].[CH3:48][N:49]([CH3:50])[CH:51]=[O:52].[CH3:54][CH2:55][N:56]([CH2:57][CH3:58])[CH2:59][CH3:60].[CH:1]([CH3:2])([CH3:3])[n:4]1[cH:5][c:6]2[c:19]3[c:14]([cH:15][cH:16][cH:17][c:18]13)[CH:13]1[CH:8]([CH2:7]2)[N:9]([CH3:23])[CH2:10][CH:11]([C:20](=[O:21])[OH:22])[CH2:12]1.[ClH:36].[ClH:37].[NH2:38][CH2:39][CH2:40][c:41]1[cH:42][nH:43][cH:44][n:45]1.[NH4+:46].[OH-:47].[OH2:53]>>[CH:1]([CH3:2])([CH3:3])[n:4]1[cH:5][c:6]2[c:19]3[c:14]([cH:15][cH:16][cH:17][c:18]13)[CH:13]1[CH:8]([CH2:7]2)[N:9]([CH3:23])[CH2:10][CH:11]([C:20](=[O:22])[NH:38][CH2:39][CH2:40][c:41]2[cH:42][nH:43][cH:44][n:45]2)[CH2:12]1