HRID1564320

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID962

Water

H2O

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID66781755

未命名化合物

结构：O=C(O)c1cc(-c2ccccc2)cc(-c2nnn[nH]2)c1

HCID178524111

未命名化合物

PRODUCTS

生成物

结构：CC(C)c1cc2c(cn1)OC1(CCN(C(=O)c3cc(-c4ccccc4)cc(-c4nnn[nH]4)c3)CC1)CC2=O

HCID178438388

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d5234a753ce5429aa4b097142f9d6e15
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH3:2][CH:3]([CH3:4])[c:5]1[cH:6][c:7]2[c:12]([cH:13][n:14]1)[O:11][C:10]1([CH2:9][C:8]2=[O:20])[CH2:15][CH2:16][NH:17][CH2:18][CH2:19]1.[CH3:33][N:34]([CH3:35])[CH2:36][CH2:37][CH2:38][N:39]=[C:40]=[N:41][CH2:42][CH3:43].[CH3:70][CH2:71][N:72]([CH2:73][CH3:74])[CH2:75][CH3:76].[ClH:1].[ClH:32].[O:65]=[CH:66][N:67]([CH3:68])[CH3:69].[OH2:21].[OH2:64].[OH:22][n:23]1[c:24]2[cH:25][cH:26][cH:27][cH:28][c:29]2[n:30][n:31]1.[nH:44]1[n:45][n:46][n:47][c:48]1-[c:49]1[cH:50][c:51]([C:61](=[O:62])[OH:63])[cH:52][c:53](-[c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)[cH:54]1>>[CH3:2][CH:3]([CH3:4])[c:5]1[cH:6][c:7]2[c:12]([cH:13][n:14]1)[O:11][C:10]1([CH2:9][C:8]2=[O:20])[CH2:15][CH2:16][N:17]([C:61]([c:51]2[cH:50][c:49](-[c:48]3[n:44][n:45][n:46][nH:47]3)[cH:54][c:53](-[c:55]3[cH:56][cH:57][cH:58][cH:59][cH:60]3)[cH:52]2)=[O:62])[CH2:18][CH2:19]1