6-[Acetyl(cyclobutylmethyl)amino]-2-methylpyridine-3-sulfonyl chloride → HCID 178499745, compound

HRID 1117013Notes

Reaction equation

HRID 1117013 reaction equation
[C:54]([CH3:55])(=[O:56])[N:57]([c:58]1[cH:59][cH:60][c:61]([S:65](=[O:66])(=[O:67])[Cl:68])[c:62]([CH3:64])[n:63]1)[CH2:69][CH:70]1[CH2:71][CH2:72][CH2:73]1.[CH3:1][O:2][C:3]([CH:4]([CH2:5][c:6]1[cH:7][cH:8][c:9](-[c:12]2[cH:13][cH:14][c:15]([C:18]#[N:19])[cH:16][cH:17]2)[cH:10][cH:11]1)[NH:20][C:21](=[O:22])[CH:23]1[NH:24][CH2:25][c:26]2[cH:27][c:28]3[c:29]([cH:30][c:31]2[CH2:32]1)[O:33][CH2:34][CH:35]([c:37]1[cH:38][cH:39][c:40]([O:43][CH2:44][c:45]2[cH:46][c:47]([Cl:52])[c:48]([Cl:51])[cH:49][cH:50]2)[cH:41][cH:42]1)[O:36]3)=[O:53]>>[CH3:1][O:2][C:3]([CH:4]([CH2:5][c:6]1[cH:7][cH:8][c:9](-[c:12]2[cH:13][cH:14][c:15]([C:18]#[N:19])[cH:16][cH:17]2)[cH:10][cH:11]1)[NH:20][C:21](=[O:22])[CH:23]1[N:24]([S:65]([c:61]2[cH:60][cH:59][c:58]([N:57]([C:54]([CH3:55])=[O:56])[CH2:69][CH:70]3[CH2:71][CH2:72][CH2:73]3)[n:63][c:62]2[CH3:64])(=[O:66])=[O:67])[CH2:25][c:26]2[cH:27][c:28]3[c:29]([cH:30][c:31]2[CH2:32]1)[O:33][CH2:34][CH:35]([c:37]1[cH:38][cH:39][c:40]([O:43][CH2:44][c:45]2[cH:46][c:47]([Cl:52])[c:48]([Cl:51])[cH:49][cH:50]2)[cH:41][cH:42]1)[O:36]3)=[O:53]

Participants

3

Reactant 2

HCID 583273976-[Acetyl(cyclobutylmethyl)amino]-2-methylpyridine-3-sulfonyl chlorideHCID 66719339Methyl 3-[4-(4-cyanophenyl)phenyl]-2-[[3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-2,3,6,7,8,9-hexahydro-[1,4]dioxino[2,3-g]isoquinoline-8-carbonyl]amino]propanoate

Product 1

HCID 178499745HCID 178499745, compound

Sources & evidence

ORD record
ord-211bb1fe1d5c486c878b146359a11f77
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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