1,2-Dichloroethane → [5-(2-Amino-4-oxoimidazo[1,2-a][1,3,5]triazin-8-yl)-3,4-dibenzoyloxyoxolan-2-yl]methyl benzoate

HRID 142061

반응식

HRID 142061 반응식
[C:28]([O:29][CH:32]1[CH:33]([O:34][C:35]([c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)=[O:42])[CH:43]([O:44][C:45]([c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)=[O:52])[CH:53]([CH2:55][O:56][C:57]([c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)=[O:64])[O:54]1)(=[O:30])[CH3:31].[CH3:12][SiH:13]([CH3:14])[N:15]([CH3:16])[Si:17]([CH3:18])([CH3:19])[CH3:20].[CH:70]([Cl:71])([Cl:72])[Cl:73].[Cl-:65].[Cl:66][CH2:67][CH2:68][Cl:69].[NH2:1][c:2]1[n:3][c:4]2[n:5]([c:6](=[O:8])[nH:7]1)[cH:9][cH:10][n:11]2.[NH4+:21].[NH4+:22].[O-:23][S:24](=[O:25])(=[O:26])[O-:27]>>[NH2:1][c:2]1[n:3][c:4]2[n:5]([c:6](=[O:8])[n:7]1)[cH:9][cH:10][n:11]2[CH:32]1[CH:33]([O:34][C:35]([c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)=[O:42])[CH:43]([O:44][C:45]([c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)=[O:52])[CH:53]([CH2:55][O:56][C:57]([c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)=[O:64])[O:54]1

참가 물질

9

반응물 8

HCID 111,2-DichloroethaneHCID 223Ammonium2회HCID 312ChlorideHCID 1117Sulfate IonHCID 6212ChloroformHCID 229578(5-Acetoxy-3,4-dibenzoyloxy-tetrahydrofuran-2-yl)methyl benzoateHCID 589711N-dimethylsilyl-N-trimethylsilylmethanamineHCID 1356009092-Aminoimidazo[1,2-a][1,3,5]triazin-4(1H)-one

생성물 1

HCID 20295806[5-(2-Amino-4-oxoimidazo[1,2-a][1,3,5]triazin-8-yl)-3,4-dibenzoyloxyoxolan-2-yl]methyl benzoate

출처 및 근거

ORD 기록
ord-61031c2af8054c539b4e1b93f7af9762
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

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