HRID2310067

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID887

Methanol

CH4O

HCID962

Water

H2O

2 次

HCID6344

Dichloromethane

CH2Cl2

HCID9321

Hydrazine

H4N2

结构：O=C(O)C(=O)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1

HCID11133448

(2-tritylaminothiazol-4-yl)glyoxylic acid

C24H18N2O3S

结构：O=C1NC(=O)c2c(OCc3csc(NC(c4ccccc4)(c4ccccc4)c4ccccc4)n3)cccc21

HCID21285061

未命名化合物

PRODUCTS

生成物

结构：O=C(O)C(=NOCc1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1

HCID54569817

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4231e84d79e24151ba251ee59a06c19b
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

[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)([c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[NH:20][c:21]1[s:22][cH:23][c:24]([CH2:26][O:27][c:28]2[cH:29][cH:30][cH:31][c:32]3[c:37]2[C:35](=[O:36])[NH:34][C:33]3=[O:38])[n:25]1.[C:43]([c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1)([c:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1)([c:56]1[cH:57][cH:58][cH:59][cH:60][cH:61]1)[NH:62][c:63]1[s:64][cH:65][c:66]([C:68]([C:69](=[O:70])[OH:71])=[O:72])[n:67]1.[CH3:73][CH2:74][OH:75].[CH3:79][OH:80].[Cl:76][CH2:77][Cl:78].[NH2:40][NH2:41].[OH2:39].[OH2:42]>>[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)([c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[NH:20][c:21]1[s:22][cH:23][c:24]([CH2:26][O:27][N:40]=[C:68]([c:66]2[cH:65][s:64][c:63]([NH:62][C:43]([c:44]3[cH:45][cH:46][cH:47][cH:48][cH:49]3)([c:50]3[cH:51][cH:52][cH:53][cH:54][cH:55]3)[c:56]3[cH:57][cH:58][cH:59][cH:60][cH:61]3)[n:67]2)[C:69](=[O:70])[OH:71])[n:25]1