HRID307440

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID962

Water

H2O

2 次

HCID9321

Hydrazine

H4N2

HCID31275

1,4-Dioxane

C4H8O2

结构：CC(=O)Nc1ccc(Nc2nc(N3CC(NC(=O)OC(C)(C)C)CC(NC(=O)OC(C)(C)C)C3)nc(N3CC(NC(=O)OC(C)(C)C)CC(NC(=O)OC(C)(C)C)C3)n2)cc1OCc1ccccc1

HCID178474249

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC1CC(NC(=O)OC(C)(C)C)CN(c2nc(Nc3ccc(N)c(OCc4ccccc4)c3)nc(N3CC(NC(=O)OC(C)(C)C)CC(NC(=O)OC(C)(C)C)C3)n2)C1

HCID178452883

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9a0082909a314b5a94ad4a316796cdec
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

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([NH:66][C:67](=[O:68])[CH3:69])[cH:11][cH:12][c:13]([NH:15][c:16]2[n:17][c:18]([N:44]3[CH2:45][CH:46]([NH:58][C:59](=[O:60])[O:61][C:62]([CH3:63])([CH3:64])[CH3:65])[CH2:47][CH:48]([NH:50][C:51](=[O:52])[O:53][C:54]([CH3:55])([CH3:56])[CH3:57])[CH2:49]3)[n:19][c:20]([N:22]3[CH2:23][CH:24]([NH:36][C:37](=[O:38])[O:39][C:40]([CH3:41])([CH3:42])[CH3:43])[CH2:25][CH:26]([NH:28][C:29](=[O:30])[O:31][C:32]([CH3:33])([CH3:34])[CH3:35])[CH2:27]3)[n:21]2)[cH:14]1.[CH3:74][OH:75].[NH2:71][NH2:72].[O:76]1[CH2:77][CH2:78][O:79][CH2:80][CH2:81]1.[OH2:70].[OH2:73]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([NH2:66])[cH:11][cH:12][c:13]([NH:15][c:16]2[n:17][c:18]([N:44]3[CH2:45][CH:46]([NH:58][C:59](=[O:60])[O:61][C:62]([CH3:63])([CH3:64])[CH3:65])[CH2:47][CH:48]([NH:50][C:51](=[O:52])[O:53][C:54]([CH3:55])([CH3:56])[CH3:57])[CH2:49]3)[n:19][c:20]([N:22]3[CH2:23][CH:24]([NH:36][C:37](=[O:38])[O:39][C:40]([CH3:41])([CH3:42])[CH3:43])[CH2:25][CH:26]([NH:28][C:29](=[O:30])[O:31][C:32]([CH3:33])([CH3:34])[CH3:35])[CH2:27]3)[n:21]2)[cH:14]1