HRID110134

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID702

Ethanol

C2H6O

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID23925

Iron

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81033

4-Benzyloxyphenylacetic acid

C15H14O3

HCID81531

Diisopropylethylamine

C8H19N

结构：O=[N+]([O-])c1cccc2nn(CCN3CCCCC3)cc12

HCID22138911

未命名化合物

PRODUCTS

生成物

结构：O=C(Cc1ccc(OCc2ccccc2)cc1)Nc1cccc2nn(CCN3CCCCC3)cc12

HCID11155596

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6fc4ddd3c97248538833db152448fc63
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

[CH2:23]([c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1)[O:30][c:31]1[cH:32][cH:33][c:34]([CH2:37][C:38](=[O:39])[OH:40])[cH:35][cH:36]1.[CH3:60][N:61]([CH3:62])[CH:63]=[O:64].[CH3:66][CH2:67][OH:68].[CH:51]([N:52]([CH:53]([CH3:54])[CH3:55])[CH2:56][CH3:57])([CH3:58])[CH3:59].[Cl-:21].[Fe:65].[N+:1]([O-:2])(=[O:3])[c:4]1[c:5]2[cH:6][n:7]([CH2:13][CH2:14][N:15]3[CH2:16][CH2:17][CH2:18][CH2:19][CH2:20]3)[n:8][c:9]2[cH:10][cH:11][cH:12]1.[NH4+:22].[OH2:69].[OH:41][n:42]1[c:43]2[cH:44][cH:45][cH:46][cH:47][c:48]2[n:49][n:50]1>>[NH:1]([c:4]1[c:5]2[cH:6][n:7]([CH2:13][CH2:14][N:15]3[CH2:16][CH2:17][CH2:18][CH2:19][CH2:20]3)[n:8][c:9]2[cH:10][cH:11][cH:12]1)[C:38]([CH2:37][c:34]1[cH:33][cH:32][c:31]([O:30][CH2:23][c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[cH:36][cH:35]1)=[O:39]