HRID2347043

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6422

未命名化合物

HCID8028

Tetrahydrofuran

C4H8O

结构：CCCCCCCCCCCCCC(=O)OC1CCC(NC(=O)C(OC)C2OC(C)(C)OC(C=CC(C)(C)C)C2O)C(=O)N(Cc2cccnc2)C1

HCID178443186

未命名化合物

PRODUCTS

生成物

结构：CCCCCCCCCCCCCC(=O)OC1CCC(NC(=O)C(OC)C(O)C(O)C(O)C=CC(C)(C)C)C(=O)N(Cc2cccnc2)C1

HCID178443187

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bdc32590878548c1bf9de1234201f3e2
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

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