HRID87992

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID6422

未命名化合物

HCID28486

Lithium ion

Li+

反应SMILES：CCOC(=O)C1CCN(c2ccc(Nc3nc(Nc4ccc5c(c4)C(C)(C)CCC(=O)N5)ncc3Cl)c(-n3cccn3)c2)CC1

HCID67263789

未命名化合物

PRODUCTS

产物

反应SMILES：CC1(C)CCC(=O)Nc2ccc(Nc3ncc(Cl)c(Nc4ccc(N5CCC(C(=O)O)CC5)cc4-n4cccn4)n3)cc21

HCID66829935

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-cc3cfca522684da7af2127d8ee306e53
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

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