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Hydrochloric Acid → HCID 23511635, 화합물

HRID 286225
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HRID 286225 반응식
[CH3:2][N:3]([CH3:4])[CH2:5][CH2:6][CH2:7][N:8]=[C:9]=[N:10][CH2:11][CH3:12].[CH:54]([N:55]([CH:56]([CH3:57])[CH3:58])[CH2:59][CH3:60])([CH3:61])[CH3:62].[CH:63]([O:64][CH:65]([CH3:66])[CH3:67])([CH3:68])[CH3:69].[ClH:1].[I:13][c:14]1[cH:15][n:16][c:17]([O:23][CH2:24][CH2:25][CH2:26][CH3:27])[c:18]([C:19](=[O:20])[OH:21])[cH:22]1.[NH2:28][c:29]1[c:30]([CH2:41][CH3:42])[n:31][n:32]([CH2:37][CH2:38][O:39][CH3:40])[c:33]1[C:34](=[O:35])[NH2:36].[O:70]1[CH2:71][CH2:72][CH2:73][CH2:74]1.[OH2:43].[OH:44][n:45]1[c:46]2[cH:47][cH:48][cH:49][cH:50][c:51]2[n:52][n:53]1>>[I:13][c:14]1[cH:15][n:16][c:17]([O:23][CH2:24][CH2:25][CH2:26][CH3:27])[c:18]([C:19](=[O:21])[NH:28][c:29]2[c:30]([CH2:41][CH3:42])[n:31][n:32]([CH2:37][CH2:38][O:39][CH3:40])[c:33]2[C:34](=[O:35])[NH2:36])[cH:22]1
참가 물질출처 및 근거반응 노트

참가 물질

10

반응물 9

HCID 313Hydrochloric AcidHCID 962WaterHCID 7914Diisopropyl EtherHCID 8028TetrahydrofuranHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531Diisopropylethylamine
HCID 11558796
5-Iodo-2-butoxynicotinic acid
HCID 23511608HCID 23511608, 화합물

생성물 1

HCID 23511635HCID 23511635, 화합물

출처 및 근거

ORD 기록
ord-f422939605a945f6aef7f57bc6c240de
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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