HRID1209959

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

结构：CCOC1(OCC)CCN(Cc2ccccc2)CC1NC(=N)c1nn(C2CCCCO2)c2cc(-c3cc(F)c(OCOCC[Si](C)(C)C)cc3CC)ccc12

HCID178467533

未命名化合物

PRODUCTS

生成物

结构：CCOC1(OCC)CCN(Cc2ccccc2)CC1NC(=N)c1nn(C2CCCCO2)c2cc(-c3cc(F)c(O)cc3CC)ccc12

HCID178467532

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f16adb772e304b8189cedb70101a03fb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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