Toluene → HCID 178471295, compound

HRID 1145202Notes

Reaction equation

HRID 1145202 reaction equation
[C:41](=[O:42])([O:43][CH2:44][CH3:45])[CH:46]=[P:47]([c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1)([c:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]1)[c:60]1[cH:61][cH:62][cH:63][cH:64][cH:65]1.[CH3:66][c:67]1[cH:68][cH:69][cH:70][cH:71][cH:72]1.[Cl:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[c:11]1[N:10]([CH3:12])[O:9][CH:8]1[C:7]2([OH:40])[CH2:15][CH:14]([C:16](=[O:17])[O:18][CH:19]2[CH:20]([O:36][C:37]([CH3:38])=[O:39])[C:21]([CH3:35])=[CH:22][CH:23]3[CH:24]([CH:31]([CH:32]=[O:33])[CH3:34])[CH2:25][CH2:26][CH:27]([CH3:30])[C:28]23[OH:29])[NH:13]1>>[Cl:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[c:11]1[N:10]([CH3:12])[O:9][CH:8]1[C:7]2([OH:40])[CH2:15][CH:14]([C:16](=[O:17])[O:18][CH:19]2[CH:20]([O:36][C:37]([CH3:38])=[O:39])[C:21]([CH3:35])=[CH:22][CH:23]3[CH:24]([CH:31]([CH3:34])[CH:66]=[CH:46][C:41](=[O:42])[O:43][CH2:44][CH3:45])[CH2:25][CH2:26][CH:27]([CH3:30])[C:28]23[OH:29])[NH:13]1

Participants

4

Reactant 3

HCID 1140TolueneHCID 70670Acetic acid, 2-(triphenylphosphoranylidene)-, ethyl esterHCID 178475370HCID 178475370, compound

Product 1

HCID 178471295HCID 178471295, compound

Sources & evidence

ORD record
ord-3c27588979b044ce9b7ba0b2cd0ca5be
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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