Acetonitrile → HCID 58554243, compound

HRID 1564255Notes

Reaction equation

HRID 1564255 reaction equation
[C:1]([S:2](=[O:3])[NH:7][CH:8]([c:9]1[cH:10][n:11][c:12]([NH:14][C:15](=[O:16])[C:17]2([c:20]3[cH:21][c:22]4[c:23]([cH:27][cH:28]3)[O:24][CH2:25][O:26]4)[CH2:18][CH2:19]2)[s:13]1)[c:29]1[c:30]([Cl:35])[cH:31][cH:32][cH:33][cH:34]1)([CH3:4])([CH3:5])[CH3:6].[CH3:65][C:66]#[N:67].[NH2:36][CH:37]([c:38]1[cH:39][cH:40][cH:41][cH:42][c:43]1[Cl:44])[c:45]1[s:46][c:47]([NH:48][C:49]([C:50]2([c:51]3[cH:52][cH:53][c:54]4[c:58]([cH:59]3)[O:57][CH2:56][O:55]4)[CH2:60][CH2:61]2)=[O:62])[n:63][cH:64]1>>[NH2:7][CH:8]([c:9]1[cH:10][n:11][c:12]([NH:14][C:15](=[O:16])[C:17]2([c:20]3[cH:21][c:22]4[c:23]([cH:27][cH:28]3)[O:24][CH2:25][O:26]4)[CH2:18][CH2:19]2)[s:13]1)[c:29]1[c:30]([Cl:35])[cH:31][cH:32][cH:33][cH:34]1

Participants

4

Reactant 3

HCID 6342AcetonitrileHCID 58554243HCID 58554243, compoundHCID 725540371-(1,3-benzodioxol-5-yl)-N-[5-[(tert-butylsulfinylamino)-(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]cyclopropane-1-carboxamide

Product 1

HCID 58554243HCID 58554243, compound

Sources & evidence

ORD record
ord-beb9970ad2d74bcfa9fc234f3e1c344d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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