Dichloromethane → HCID 76601340, compound

HRID 1152246Notes

Reaction equation

HRID 1152246 reaction equation
[CH3:1][N:2]([CH:3]1[CH2:4][N:5]([c:8]2[s:9][c:10]3[c:11]([n:12]2)[cH:13][cH:14][c:15]([NH2:17])[cH:16]3)[CH2:6][CH2:7]1)[CH3:18].[CH:57]([N:58]([CH2:59][CH3:60])[CH:61]([CH3:62])[CH3:63])([CH3:64])[CH3:65].[Cl:66][CH2:67][Cl:68].[P-:33]([F:34])([F:35])([F:36])([F:37])([F:38])[F:39].[c:19]1(-[c:25]2[cH:26][c:27]([C:30](=[O:31])[OH:32])[n:28][o:29]2)[cH:20][cH:21][cH:22][cH:23][cH:24]1.[n:40]1([O:41][C:42]([N:43]([CH3:44])[CH3:45])=[N+:46]([CH3:47])[CH3:48])[c:49]2[n:50][cH:51][cH:52][cH:53][c:54]2[n:55][n:56]1>>[CH3:1][N:2]([CH:3]1[CH2:4][N:5]([c:8]2[s:9][c:10]3[c:11]([n:12]2)[cH:13][cH:14][c:15]([NH:17][C:30]([c:27]2[cH:26][c:25](-[c:19]4[cH:20][cH:21][cH:22][cH:23][cH:24]4)[o:29][n:28]2)=[O:31])[cH:16]3)[CH2:6][CH2:7]1)[CH3:18]

Participants

7

Reactant 6

HCID 6344DichloromethaneHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 1519165-Phenyl-3-isoxazolecarboxylic acidHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 632315072-(3-Dimethylamino-pyrrolidin-1-yl)-benzothiazol-6-ylamine

Product 1

HCID 76601340HCID 76601340, compound

Sources & evidence

ORD record
ord-98c351fd238e437bad5e061b57c0d556
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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