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Sodium Ion → 1-[(1-cyclopropyl-2,2,2-trifluoroethyl)amino]-7-iodo-5H-pyrido[4,3-b]indole-4-carboxamide

HRID 320929
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HRID 320929 반응식
[CH2:39]1[O:40][CH2:41][CH2:42][CH2:43]1.[CH3:45][CH2:46][O:47][C:48]([CH3:49])=[O:50].[CH:1]1([CH:4]([C:5]([F:6])([F:7])[F:8])[NH:9][c:10]2[n:11][cH:12][c:13]([C:32](=[O:33])[NH2:34])[c:14]3[nH:15][c:16]4[cH:17][c:18]([B:23]5[O:24][C:25]([CH3:26])([CH3:27])[C:28]([CH3:29])([CH3:30])[O:31]5)[cH:19][cH:20][c:21]4[c:22]23)[CH2:2][CH2:3]1.[I-:38].[NH2:35][Cl:36].[Na+:37].[OH2:44]>>[CH:1]1([CH:4]([C:5]([F:6])([F:7])[F:8])[NH:9][c:10]2[n:11][cH:12][c:13]([C:32](=[O:33])[NH2:34])[c:14]3[nH:15][c:16]4[cH:17][c:18]([I:38])[cH:19][cH:20][c:21]4[c:22]23)[CH2:2][CH2:3]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 923Sodium IonHCID 962WaterHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 25423MonochloramineHCID 30165Iodide IonHCID 708420441-[(1-cyclopropyl-2,2,2-trifluoroethyl)amino]-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5H-pyrido[4,3-b]indole-4-carboxamide

생성물 1

HCID 723219111-[(1-cyclopropyl-2,2,2-trifluoroethyl)amino]-7-iodo-5H-pyrido[4,3-b]indole-4-carboxamide

출처 및 근거

ORD 기록
ord-5f5bd9c894c54d8a972396d3ab05a4f7
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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