HRID2318316

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID888

Magnesium cation

Mg+2

HCID923

Sodium ion

Na+

HCID1117

Sulfate

O4S-2

反应SMILES：CC(C)NCC1CC(n2ccc3c(N)ncnc32)C2OC(C)(C)OC12

HCID67817710

未命名化合物

反应SMILES：C[Si](C)(C)CCOCn1c(CC2CC(C=O)C2)nc2cc(C(F)(F)F)ccc21

HCID86666116

未命名化合物

PRODUCTS

产物

反应SMILES：CC(C)N(CCCCc1nc2cc(C(F)(F)F)ccc2n1COCC[Si](C)(C)C)CC1CC(n2ccc3c(N)ncnc32)C2OC(C)(C)OC12

HCID67816603

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-25bcd1ad19a54b84bee8467980903cfc
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

[CH3:29][C:30]1([CH3:53])[O:31][CH:32]2[CH:33]([O:34]1)[CH:35]([CH2:48][NH:49][CH:50]([CH3:51])[CH3:52])[CH2:36][CH:37]2[n:38]1[cH:39][cH:40][c:41]2[c:42]1[n:43][cH:44][n:45][c:46]2[NH2:47].[F:1][C:2]([c:3]1[cH:4][c:5]2[c:6]([n:7]([CH2:17][O:18][CH2:19][CH2:20][Si:21]([CH3:22])([CH3:23])[CH3:24])[c:8]([CH2:10][CH:11]3[CH2:12][CH:13]([CH:15]=[O:16])[CH2:14]3)[n:9]2)[cH:25][cH:26]1)([F:27])[F:28].[Mg+2:54].[Na+:64].[O-:55][S:56]([O-:57])(=[O:58])=[O:59].[O-:60][C:61]([OH:62])=[O:63]>>[F:1][C:2]([c:3]1[cH:4][c:5]2[c:6]([n:7]([CH2:17][O:18][CH2:19][CH2:20][Si:21]([CH3:22])([CH3:23])[CH3:24])[c:8]([CH2:10][CH2:11][CH2:12][CH2:13][N:49]([CH2:48][CH:35]3[CH:33]4[CH:32]([O:31][C:30]([CH3:29])([CH3:53])[O:34]4)[CH:37]([n:38]4[cH:39][cH:40][c:41]5[c:42]4[n:43][cH:44][n:45][c:46]5[NH2:47])[CH2:36]3)[CH:50]([CH3:51])[CH3:52])[n:9]2)[cH:25][cH:26]1)([F:27])[F:28]