HRID289491

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID702

Ethanol

C2H6O

HCID21729935

未命名化合物

结构：CCc1cc(OCOCC[Si](C)(C)C)c(F)cc1-c1ccc2c(C(=N)OC)nn(C3CCCCO3)c2c1

HCID86676271

未命名化合物

PRODUCTS

生成物

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

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3cff2dfe21514795895a08c9802fc34a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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