HRID86112

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID18470813

未命名化合物

结构：Cc1cnc(NCCc2cccc(OCC3CCCN3C(=O)OC(C)(C)C)c2)c(=O)n1CC(=O)O

HCID59900606

未命名化合物

PRODUCTS

生成物

结构：Cc1c[nH]c2ccc(CNC(=O)Cn3c(C)cnc(NCCc4cccc(OCC5CCCN5C(=O)OC(C)(C)C)c4)c3=O)cc12

HCID178430813

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cefe82d8bcdf458b9b4f32bd5a17cfa3
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:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([CH2:13][O:14][c:15]2[cH:16][c:17]([CH2:18][CH2:19][NH:20][c:21]3[c:22](=[O:32])[n:23]([CH2:28][C:29](=[O:30])[OH:31])[c:24]([CH3:27])[cH:25][n:26]3)[cH:33][cH:34][cH:35]2)[CH2:10][CH2:11][CH2:12]1.[CH3:36][c:37]1[cH:38][nH:39][c:40]2[cH:41][cH:42][c:43]([CH2:46][NH2:47])[cH:44][c:45]12.[CH3:58][N:59]1[CH2:60][CH2:61][O:62][CH2:63][CH2:64]1.[CH3:65][N:66]([CH3:67])[CH:68]=[O:69].[OH:48][n:49]1[c:50]2[c:51]([cH:52][cH:53][cH:54][cH:55]2)[n:56][n:57]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([CH2:13][O:14][c:15]2[cH:16][c:17]([CH2:18][CH2:19][NH:20][c:21]3[c:22](=[O:32])[n:23]([CH2:28][C:29](=[O:30])[NH:47][CH2:46][c:43]4[cH:42][cH:41][c:40]5[nH:39][cH:38][c:37]([CH3:36])[c:45]5[cH:44]4)[c:24]([CH3:27])[cH:25][n:26]3)[cH:33][cH:34][cH:35]2)[CH2:10][CH2:11][CH2:12]1