HRID294580

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

Dimethylformamide

C3H7NO

HCID15908

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

C8H17N3

HCID30926

未命名化合物

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：CC(C)(C)OC(=O)N1CCn2c(-c3ccccc3)nc(C(=O)NC(C(=O)O)C(C)(C)C)c2C1

HCID66931976

未命名化合物

PRODUCTS

生成物

结构：CC(N)=NOC(=O)C(NC(=O)c1nc(-c2ccccc2)n2c1CN(C(=O)OC(C)(C)C)CC2)C(C)(C)C

HCID178465670

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1eb9a7f543be4b1f8a55a511522e325e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][c:10]2[n:11]([c:14](-[c:28]3[cH:29][cH:30][cH:31][cH:32][cH:33]3)[n:15][c:16]2[C:17](=[O:18])[NH:19][CH:20]([C:21](=[O:22])[OH:23])[C:24]([CH3:25])([CH3:26])[CH3:27])[CH2:12][CH2:13]1.[CH3:34][CH2:35][N:36]=[C:37]=[N:38][CH2:39][CH2:40][CH2:41][N:42]([CH3:43])[CH3:44].[O:60]=[CH:61][N:62]([CH3:63])[CH3:64].[OH2:65].[OH:45][n:46]1[c:47]2[c:48]([cH:49][cH:50][cH:51][cH:52]2)[n:53][n:54]1.[OH:55][N:56]=[C:57]([CH3:58])[NH2:59]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][c:10]2[n:11]([c:14](-[c:28]3[cH:29][cH:30][cH:31][cH:32][cH:33]3)[n:15][c:16]2[C:17](=[O:18])[NH:19][CH:20]([C:21]([O:22][N:56]=[C:57]([CH3:58])[NH2:59])=[O:23])[C:24]([CH3:25])([CH3:26])[CH3:27])[CH2:12][CH2:13]1