Bicarbonate Ion → 2-Tert-butyl-6-isocyanato-5-[4-methyl-piperazin-1-yl]benzothiazole

HRID 1129133

반응식

HRID 1129133 반응식
[C:22]([O-:23])(=[O:24])[OH:25].[CH:33]([Cl:34])([Cl:35])[Cl:36].[Cl:27][C:28](=[S:29])[Cl:30].[NH2:1][c:2]1[cH:3][c:4]2[c:5]([n:6][c:7]([C:9]([CH3:10])([CH3:11])[CH3:12])[s:8]2)[cH:13][c:14]1[N:15]1[CH2:16][CH2:17][N:18]([CH3:21])[CH2:19][CH2:20]1.[Na+:26].[Na+:32].[OH-:31].[OH2:37]>>[N:1]([c:2]1[cH:3][c:4]2[c:5]([n:6][c:7]([C:9]([CH3:10])([CH3:11])[CH3:12])[s:8]2)[cH:13][c:14]1[N:15]1[CH2:16][CH2:17][N:18]([CH3:21])[CH2:19][CH2:20]1)=[C:22]=[O:23]

참가 물질

8

출처 및 근거

ORD 기록
ord-0da1c5e6b7b84fc78f081a89c36a4954
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

연결된 노트

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