HRID2327826

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID199401

Phosphinic azide, diphenyl-

C12H10N3OP

结构：O=C(CC(Cc1cccc2ccccc12)C(=O)O)NCCc1ccccc1

HCID13746611

未命名化合物

结构：CC(C)CC(C=NNC(N)=O)NC(=O)C(N)Cc1c[nH]cn1

HCID178444893

未命名化合物

PRODUCTS

生成物

结构：CC(C)CC(C=NNC(N)=O)NC(=O)C(Cc1c[nH]cn1)NC(=O)C(CC(=O)NCCc1ccccc1)Cc1cccc2ccccc12

HCID178444892

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7afceeb617e04691b9b5f5a3d43c0300
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH3:67][CH2:68][N:69]([CH2:70][CH3:71])[CH2:72][CH3:73].[CH3:74][N:75]([CH3:76])[CH:77]=[O:78].[NH2:28][CH:29]([CH2:30][c:31]1[cH:32][nH:33][cH:34][n:35]1)[C:36](=[O:37])[NH:38][CH:39]([CH2:40][CH:41]([CH3:42])[CH3:43])[CH:44]=[N:45][NH:46][C:47]([NH2:48])=[O:49].[c:1]1([CH2:11][CH:12]([C:13](=[O:14])[OH:15])[CH2:16][C:17]([NH:18][CH2:19][CH2:20][c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)=[O:27])[cH:2][cH:3][cH:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]12.[c:50]1([P:51]([N:52]=[N+:53]=[N-:54])([c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)=[O:61])[cH:62][cH:63][cH:64][cH:65][cH:66]1>>[c:1]1([CH2:11][CH:12]([C:13](=[O:14])[NH:28][CH:29]([CH2:30][c:31]2[cH:32][nH:33][cH:34][n:35]2)[C:36](=[O:37])[NH:38][CH:39]([CH2:40][CH:41]([CH3:42])[CH3:43])[CH:44]=[N:45][NH:46][C:47]([NH2:48])=[O:49])[CH2:16][C:17]([NH:18][CH2:19][CH2:20][c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)=[O:27])[cH:2][cH:3][cH:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]12