Toluene → HCID 57637381, compound

HRID 1211921Notes

Reaction equation

HRID 1211921 reaction equation
[C:41]([c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1)([c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1)=[N:54][NH2:55].[C:56](=[O:57])([O-:58])[O-:59].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][CH2:9][n:10]1[c:11]([C:29](=[O:30])[c:31]2[c:32]([Br:40])[c:33]3[c:34]([s:35]2)[cH:36][cH:37][cH:38][cH:39]3)[n:12][c:13]2[c:14]1[cH:15][c:16]([O:19][CH2:20][CH2:21][CH2:22][N:23]1[CH2:24][CH2:25][CH2:26][CH2:27][CH2:28]1)[cH:17][cH:18]2.[CH3:62][c:63]1[cH:64][cH:65][cH:66][cH:67][cH:68]1.[Cs+:60].[Cs+:61]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][CH2:9][n:10]1[c:11]([C:29](=[O:30])[c:31]2[c:32]([NH:55][N:54]=[C:41]([c:42]3[cH:43][cH:44][cH:45][cH:46][cH:47]3)[c:48]3[cH:49][cH:50][cH:51][cH:52][cH:53]3)[c:33]3[c:34]([s:35]2)[cH:36][cH:37][cH:38][cH:39]3)[n:12][c:13]2[c:14]1[cH:15][c:16]([O:19][CH2:20][CH2:21][CH2:22][N:23]1[CH2:24][CH2:25][CH2:26][CH2:27][CH2:28]1)[cH:17][cH:18]2

Participants

6

Reactant 5

HCID 1140TolueneHCID 19660Carbonate IonHCID 79304DiphenylmethylidenehydrazineHCID 104967Cesium cation2×HCID 57637292HCID 57637292, compound

Product 1

HCID 57637381HCID 57637381, compound

Sources & evidence

ORD record
ord-6d399c80b2f749098586b1a68cbf7ac8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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