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Bicarbonate Ion → HCID 10218444, 화합물

HRID 1212723
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HRID 1212723 반응식
[C:30]([c:31]1[cH:32][c:33]([NH:34][C:41](=[O:42])[NH:43][c:44]2[cH:45][cH:46][c:47]([O:54][c:55]3[n:56][c:57]([NH:61][CH2:62][CH:63]4[CH2:64][CH2:65]4)[n:58][cH:59][cH:60]3)[c:48]3[cH:49][cH:50][cH:51][cH:52][c:53]23)[n:35]([CH3:36])[n:37]1)([CH3:38])([CH3:39])[CH3:40].[CH2:66]([Cl:67])[Cl:68].[CH2:76]1[O:77][CH2:78][CH2:79][CH2:80]1.[CH3:69][c:70]1[cH:71][cH:72][cH:73][cH:74][cH:75]1.[Cl:23][C:24](=[O:25])[Cl:26].[N-:27]=[C:28]=[O:29].[NH2:1][c:2]1[n:3](-[c:11]2[cH:12][cH:13][c:14]([CH3:17])[cH:15][cH:16]2)[n:4][c:5]([C:7]([CH3:8])([CH3:9])[CH3:10])[cH:6]1.[Na+:22].[O-:18][C:19]([OH:20])=[O:21]>>[NH:1]([c:2]1[n:3](-[c:11]2[cH:12][cH:13][c:14]([CH3:17])[cH:15][cH:16]2)[n:4][c:5]([C:7]([CH3:8])([CH3:9])[CH3:10])[cH:6]1)[C:41](=[O:42])[NH:43][c:44]1[cH:45][cH:46][c:47]([O:54][c:55]2[n:56][c:57]([NH:61][CH2:62][CH:63]3[CH2:64][CH2:65]3)[n:58][cH:59][cH:60]2)[c:48]2[cH:49][cH:50][cH:51][cH:52][c:53]12
참가 물질출처 및 근거반응 노트

참가 물질

10

반응물 9

HCID 769Bicarbonate IonHCID 923Sodium IonHCID 1140TolueneHCID 6344DichloromethaneHCID 6371PhosgeneHCID 8028TetrahydrofuranHCID 105034IsocyanateHCID 29741323-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-amine
HCID 22147192HCID 22147192, 화합물

생성물 1

HCID 10218444HCID 10218444, 화합물

출처 및 근거

ORD 기록
ord-ed0b059ee75c45f7827087d3eb1e4435
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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