HRID1127759

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID22136507

未命名化合物

结构：Cc1cc(C)nc(C=Cc2nn(C3CCCCO3)c3cc(Nc4ccccc4C(=O)O)ccc23)c1

HCID69353735

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C)nc(C=Cc2nn(C3CCCCO3)c3cc(Nc4ccccc4C(=O)NCC#CCO[Si](C)(C)C(C)(C)C)ccc23)c1

HCID69353514

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9f65493987b541a484094bc3b53be637
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[Si:5]([O:6][CH2:7][C:8]#[C:9][CH2:10][NH2:11])([CH3:12])[CH3:13].[CH3:14][c:15]1[cH:16][c:17]([CH:22]=[CH:23][c:24]2[n:25][n:26]([CH:43]3[O:44][CH2:45][CH2:46][CH2:47][CH2:48]3)[c:27]3[cH:28][c:29]([NH:33][c:34]4[c:35]([C:36](=[O:37])[OH:38])[cH:39][cH:40][cH:41][cH:42]4)[cH:30][cH:31][c:32]23)[n:18][c:19]([CH3:21])[cH:20]1.[OH2:49]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[Si:5]([O:6][CH2:7][C:8]#[C:9][CH2:10][NH:11][C:36]([c:35]1[c:34]([NH:33][c:29]2[cH:28][c:27]3[n:26]([CH:43]4[O:44][CH2:45][CH2:46][CH2:47][CH2:48]4)[n:25][c:24]([CH:23]=[CH:22][c:17]4[cH:16][c:15]([CH3:14])[cH:20][c:19]([CH3:21])[n:18]4)[c:32]3[cH:31][cH:30]2)[cH:42][cH:41][cH:40][cH:39]1)=[O:37])([CH3:12])[CH3:13]