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Urea → HCID 45482159, 화합물

HRID 2149907
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HRID 2149907 반응식
[C:21]([c:22]1[nH:23][cH:24][cH:25][n:26]1)([c:27]1[nH:28][cH:29][cH:30][n:31]1)=[O:32].[C:33](=[O:34])([O:35][c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1)[NH2:42].[CH2:77]1[O:78][CH2:79][CH2:80][CH2:81]1.[CH3:70][N:71]1[CH2:72][CH2:73][O:74][CH2:75][CH2:76]1.[Cl:5][C:6](=[O:7])[Cl:8].[Cl:9][C:10]([Cl:11])([O:12][C:13](=[O:14])[O:15][C:16]([Cl:17])([Cl:18])[Cl:19])[Cl:20].[NH2:1][C:2]([NH2:3])=[O:4].[NH2:43][CH2:44][CH2:45][n:46]1[c:47](=[O:69])[c:48]([CH3:68])[n:49][c:50]2[cH:51][cH:52][c:53]([NH:56][CH2:57][c:58]3[cH:59][c:60]([C:64]([F:65])([F:66])[F:67])[cH:61][cH:62][cH:63]3)[cH:54][c:55]12>>[NH:1]([C:2]([NH2:3])=[O:4])[CH2:44][CH2:45][n:46]1[c:47](=[O:69])[c:48]([CH3:68])[n:49][c:50]2[cH:51][cH:52][c:53]([NH:56][CH2:57][c:58]3[cH:59][c:60]([C:64]([F:65])([F:66])[F:67])[cH:61][cH:62][cH:63]3)[cH:54][c:55]12
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 1176UreaHCID 6371PhosgeneHCID 79724-MethylmorpholineHCID 8028TetrahydrofuranHCID 69322Phenyl carbamateHCID 94429TriphosgeneHCID 5250894Bis-(1H-imidazol-2-YL)-methanone
HCID 59822525
HCID 59822525, 화합물

생성물 1

HCID 45482159HCID 45482159, 화합물

출처 및 근거

ORD 기록
ord-4b3bed70a9aa4d73adf6a663135f9af9
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

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